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

C12H17N5O — CID 171315776

IUPACN-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-7-13-11(18)10-15-12-14-8-6-9-17(12)16-10/h6,8-9H,2-5,7H2,1H3,(H,13,18)
InChIKeyXYCMFXVXMOEFMJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds6

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

N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315776) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315776
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-7-13-11(18)10-15-12-14-8-6-9-17(12)16-10/h6,8-9H,2-5,7H2,1H3,(H,13,18)
InChIKeyXYCMFXVXMOEFMJ-UHFFFAOYSA-N
XLogP1.43
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023663
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583597
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
N-[2-[4-(dimethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981638
butyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2068816
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 23795774
N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94649440
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049

Frequently Asked Questions

What is the IUPAC name of N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315776) is N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCCCCNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XYCMFXVXMOEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-4-5-7-13-11(18)10-15-12-14-8-6-9-17(12)16-10/h6,8-9H,2-5,7H2,1H3,(H,13,18).
What are the key properties of N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).