N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C9H11N5O — CID 821800

IUPACN-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C9H11N5O/c1-6(2)11-8(15)7-12-9-10-4-3-5-14(9)13-7/h3-6H,1-2H3,(H,11,15)
InChIKeyPVRMWMBSYOTXBJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.26
Rot. Bonds2

About N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 821800) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID821800
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C9H11N5O/c1-6(2)11-8(15)7-12-9-10-4-3-5-14(9)13-7/h3-6H,1-2H3,(H,11,15)
InChIKeyPVRMWMBSYOTXBJ-UHFFFAOYSA-N
XLogP0.26
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 821800) is N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PVRMWMBSYOTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6(2)11-8(15)7-12-9-10-4-3-5-14(9)13-7/h3-6H,1-2H3,(H,11,15).
What are the key properties of N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 821800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).