N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H18N6 — CID 133443339

IUPACN-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(Cc2nccc(NC3CCc4ncnn4C3)n2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-13(5-3-1)10-16-18-9-8-15(22-16)21-14-6-7-17-19-12-20-23(17)11-14/h1-5,8-9,12,14H,6-7,10-11H2,(H,18,21,22)
InChIKeyQYRDOEYSSFNVIO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.09
Rot. Bonds4

About N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 133443339) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID133443339
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(Cc2nccc(NC3CCc4ncnn4C3)n2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-13(5-3-1)10-16-18-9-8-15(22-16)21-14-6-7-17-19-12-20-23(17)11-14/h1-5,8-9,12,14H,6-7,10-11H2,(H,18,21,22)
InChIKeyQYRDOEYSSFNVIO-UHFFFAOYSA-N
XLogP2.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

N-[6-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281569
N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 167992772
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
(6S)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291896
N-(6-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281563
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine
CID 99718859
(6S)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95322037
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 133443339) is N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is c1ccc(Cc2nccc(NC3CCc4ncnn4C3)n2)cc1.
What is the InChIKey of N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is QYRDOEYSSFNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-4-13(5-3-1)10-16-18-9-8-15(22-16)21-14-6-7-17-19-12-20-23(17)11-14/h1-5,8-9,12,14H,6-7,10-11H2,(H,18,21,22).
What are the key properties of N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 306.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 133443339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).