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

C17H18N6 — CID 56780041

IUPACN-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(-c2ncc(CNC3CCc4ncnn4C3)cn2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-14(5-3-1)17-19-9-13(10-20-17)8-18-15-6-7-16-21-12-22-23(16)11-15/h1-5,9-10,12,15,18H,6-8,11H2
InChIKeyYKPBIGDSCGCQQZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.84
Rot. Bonds4

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

N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780041) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780041
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(-c2ncc(CNC3CCc4ncnn4C3)cn2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-14(5-3-1)17-19-9-13(10-20-17)8-18-15-6-7-16-21-12-22-23(16)11-15/h1-5,9-10,12,15,18H,6-8,11H2
InChIKeyYKPBIGDSCGCQQZ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780041) is N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is c1ccc(-c2ncc(CNC3CCc4ncnn4C3)cn2)cc1.
What is the InChIKey of N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is YKPBIGDSCGCQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-4-14(5-3-1)17-19-9-13(10-20-17)8-18-15-6-7-16-21-12-22-23(16)11-15/h1-5,9-10,12,15,18H,6-8,11H2.
What are the key properties of N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[(2-phenylpyrimidin-5-yl)methyl]-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 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).