N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H13N7O — CID 19583882

IUPACN-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1nc2ncccn2n1
InChIInChI=1S/C12H13N7O/c20-11(13-4-1-7-18-8-3-6-15-18)10-16-12-14-5-2-9-19(12)17-10/h2-3,5-6,8-9H,1,4,7H2,(H,13,20)
InChIKeyMTXFYMMAZZQINV-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.14
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19583882) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19583882
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1nc2ncccn2n1
InChIInChI=1S/C12H13N7O/c20-11(13-4-1-7-18-8-3-6-15-18)10-16-12-14-5-2-9-19(12)17-10/h2-3,5-6,8-9H,1,4,7H2,(H,13,20)
InChIKeyMTXFYMMAZZQINV-UHFFFAOYSA-N
XLogP0.14
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768406
6-bromo-N-propyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 650648
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]piperazin-2-one
CID 165415065
N-cycloheptyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 644513
6-bromo-N-butyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2058779
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467467
[([1,2,4]Triazolo[1,5-a]pyrimidine-2-carbonyl)-amino]-acetic acid
CID 842627
ethyl N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)glycinate
CID 4299604
N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
CID 166746677
1-(4-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 76150617

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 19583882) is N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1cccn1)c1nc2ncccn2n1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MTXFYMMAZZQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c20-11(13-4-1-7-18-8-3-6-15-18)10-16-12-14-5-2-9-19(12)17-10/h2-3,5-6,8-9H,1,4,7H2,(H,13,20).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).