5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen

C14H18F2N6 — CID 177157321

IUPAC5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen
SMILESCn1nc(-c2ccc(N3C[C@@H]4C(C(F)F)[C@@H]4C3)nc2)nc1N.[H][H]
InChIInChI=1S/C14H16F2N6.H2/c1-21-14(17)19-13(20-21)7-2-3-10(18-4-7)22-5-8-9(6-22)11(8)12(15)16;/h2-4,8-9,11-12H,5-6H2,1H3,(H2,17,19,20);1H/t8-,9+,11?;
InChIKeyBAXWZPNQZAGNLA-WJXUPBHSSA-N
MW308.34 g/mol
LogP1.65
Rot. Bonds3

About 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen

5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen (PubChem CID 177157321) has the molecular formula C14H18F2N6 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen
PubChem CID177157321
Molecular FormulaC14H18F2N6
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen
SMILESCn1nc(-c2ccc(N3C[C@@H]4C(C(F)F)[C@@H]4C3)nc2)nc1N.[H][H]
InChIInChI=1S/C14H16F2N6.H2/c1-21-14(17)19-13(20-21)7-2-3-10(18-4-7)22-5-8-9(6-22)11(8)12(15)16;/h2-4,8-9,11-12H,5-6H2,1H3,(H2,17,19,20);1H/t8-,9+,11?;
InChIKeyBAXWZPNQZAGNLA-WJXUPBHSSA-N
XLogP1.65
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen with MolForge

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Related Compounds

4-[4-[[5-[6-[3-[2,2-difluoroethyl(methyl)amino]azetidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157296
[1-[5-[5-[4-(2-aminopyrimidin-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]azetidin-3-yl]methanol
CID 177157366
5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine
CID 25155932
4-[4-[[5-[6-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157522
4-[4-[[5-[6-[3-(difluoromethoxymethyl)-3-fluoroazetidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157044
4-[4-[[5-[6-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157340
3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine
CID 177157676
5-[6-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]-3-pyridinyl]-N-[3-fluoro-4-(5-fluoro-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 177157108
5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107971918
2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
CID 155725191
6-[6-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]pyridin-2-amine
CID 146223344
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
CID 145049338

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen?
The IUPAC name of 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen (CID 177157321) is 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen.
What is the SMILES notation for 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen?
The canonical SMILES for 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen is Cn1nc(-c2ccc(N3C[C@@H]4C(C(F)F)[C@@H]4C3)nc2)nc1N.[H][H].
What is the InChIKey of 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen?
The InChIKey is BAXWZPNQZAGNLA-WJXUPBHSSA-N. The full InChI is InChI=1S/C14H16F2N6.H2/c1-21-14(17)19-13(20-21)7-2-3-10(18-4-7)22-5-8-9(6-22)11(8)12(15)16;/h2-4,8-9,11-12H,5-6H2,1H3,(H2,17,19,20);1H/t8-,9+,11?;.
What are the key properties of 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen?
5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen has a molecular weight of 308.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1S,5R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-amine;molecular hydrogen is sourced from PubChem (CID 177157321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).