N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine

C16H24N6O — CID 167970007

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C16H24N6O/c1-22-13(6-7-18-22)15-12(3-2-8-23-15)9-17-10-14-19-16(21-20-14)11-4-5-11/h6-7,11-12,15,17H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,15+/m0/s1
InChIKeyKHAGRFGEXNVFQR-SWLSCSKDSA-N
MW316.41 g/mol
LogP1.67
Rot. Bonds6

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine (PubChem CID 167970007) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine
PubChem CID167970007
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C16H24N6O/c1-22-13(6-7-18-22)15-12(3-2-8-23-15)9-17-10-14-19-16(21-20-14)11-4-5-11/h6-7,11-12,15,17H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,15+/m0/s1
InChIKeyKHAGRFGEXNVFQR-SWLSCSKDSA-N
XLogP1.67
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154761428
3-N,3-N-dimethyl-5-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 154761414
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 167949484
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 126826944
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]methanamine
CID 129000660
7-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 154762345
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine
CID 138033808
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 120916560
1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
CID 167905175
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine (CID 167970007) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine is Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1nc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine?
The InChIKey is KHAGRFGEXNVFQR-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24N6O/c1-22-13(6-7-18-22)15-12(3-2-8-23-15)9-17-10-14-19-16(21-20-14)11-4-5-11/h6-7,11-12,15,17H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,15+/m0/s1.
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine has a molecular weight of 316.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 167970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).