N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C13H17F3N6 — CID 127974157

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCn1cc(CNCC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C13H17F3N6/c1-21-7-10(19-20-21)5-17-4-9-2-3-12-18-11(13(14,15)16)8-22(12)6-9/h7-9,17H,2-6H2,1H3
InChIKeyMWURMOQCBXTEAG-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.38
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 127974157) has the molecular formula C13H17F3N6 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID127974157
Molecular FormulaC13H17F3N6
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCn1cc(CNCC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C13H17F3N6/c1-21-7-10(19-20-21)5-17-4-9-2-3-12-18-11(13(14,15)16)8-22(12)6-9/h7-9,17H,2-6H2,1H3
InChIKeyMWURMOQCBXTEAG-UHFFFAOYSA-N
XLogP1.38
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467524
2-(Pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 118742071
methyl({[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]methyl})amine dihydrochloride
CID 132300981
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]propan-1-amine
CID 70757231
4-(4-Trifluoromethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazol-2-yl)piperidine
CID 67113455
3-(3,3-Difluorocyclobutyl)-5,6,7,8-tetrahydroimidazo[1,5-A]pyrazine
CID 139530413
3-(4,4-Difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 139530526
N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine
CID 142493156
Ethane;4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 144176046
6-Cyclopropyl-3-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 176352112
N-[(3-methylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 63001257
N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 66130559

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 127974157) is N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cn1cc(CNCC2CCc3nc(C(F)(F)F)cn3C2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is MWURMOQCBXTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-21-7-10(19-20-21)5-17-4-9-2-3-12-18-11(13(14,15)16)8-22(12)6-9/h7-9,17H,2-6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 314.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 127974157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).