N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H17N5O3 — CID 79037247

About N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 79037247) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 79037247
• Molecular Formula: C13H17N5O3
• Molecular Weight: 291.31 g/mol
• Exact Mass: 291.13
• IUPAC Name: N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccnc2nc(C(=O)NCC3(O)CCOCC3)nn12
• InChI: InChI=1S/C13H17N5O3/c1-9-2-5-14-12-16-10(17-18(9)12)11(19)15-8-13(20)3-6-21-7-4-13/h2,5,20H,3-4,6-8H2,1H3,(H,15,19)
• InChIKey: FGDDYMOAUMTMQO-UHFFFAOYSA-N
• XLogP: -0.30
• TPSA: 101.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.31
LogP ≤ 5	-0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 79037247) is N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCC3(O)CCOCC3)nn12.

What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is FGDDYMOAUMTMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9-2-5-14-12-16-10(17-18(9)12)11(19)15-8-13(20)3-6-21-7-4-13/h2,5,20H,3-4,6-8H2,1H3,(H,15,19).

What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 79037247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).