4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide

C16H21N7O — CID 128715486

IUPAC4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CCCC2)ncc1C(=O)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C16H21N7O/c17-13-11(9-18-14(20-13)10-5-1-2-6-10)15(24)21-16-19-12-7-3-4-8-23(12)22-16/h9-10H,1-8H2,(H2,17,18,20)(H,21,22,24)
InChIKeyVDRJBEPKFNMIQD-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.90
Rot. Bonds3

About 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide

4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide (PubChem CID 128715486) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide
PubChem CID128715486
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CCCC2)ncc1C(=O)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C16H21N7O/c17-13-11(9-18-14(20-13)10-5-1-2-6-10)15(24)21-16-19-12-7-3-4-8-23(12)22-16/h9-10H,1-8H2,(H2,17,18,20)(H,21,22,24)
InChIKeyVDRJBEPKFNMIQD-UHFFFAOYSA-N
XLogP1.90
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide (CID 128715486) is 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide is Nc1nc(C2CCCC2)ncc1C(=O)Nc1nc2n(n1)CCCC2.
What is the InChIKey of 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is VDRJBEPKFNMIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c17-13-11(9-18-14(20-13)10-5-1-2-6-10)15(24)21-16-19-12-7-3-4-8-23(12)22-16/h9-10H,1-8H2,(H2,17,18,20)(H,21,22,24).
What are the key properties of 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide?
4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 128715486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).