4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide

C15H22N6O — CID 125162216

IUPAC4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@@H](C)c1nncn1CCC
InChIInChI=1S/C15H22N6O/c1-4-6-13-12(8-16-9-17-13)15(22)19-11(3)14-20-18-10-21(14)7-5-2/h8-11H,4-7H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyQKBHXOIHFQSNQG-NSHDSACASA-N
MW302.38 g/mol
LogP1.92
Rot. Bonds7

About 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide

4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 125162216) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID125162216
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@@H](C)c1nncn1CCC
InChIInChI=1S/C15H22N6O/c1-4-6-13-12(8-16-9-17-13)15(22)19-11(3)14-20-18-10-21(14)7-5-2/h8-11H,4-7H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyQKBHXOIHFQSNQG-NSHDSACASA-N
XLogP1.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 125162216) is 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N[C@@H](C)c1nncn1CCC.
What is the InChIKey of 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is QKBHXOIHFQSNQG-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O/c1-4-6-13-12(8-16-9-17-13)15(22)19-11(3)14-20-18-10-21(14)7-5-2/h8-11H,4-7H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125162216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).