N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H20N6O2 — CID 72861823

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nncn2C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N6O2/c1-10-16-7-12(15(23)19-10)14(22)17-8-13-20-18-9-21(13)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,22)(H,16,19,23)
InChIKeyNCNLQOUIVPEQPM-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.11
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72861823) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72861823
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nncn2C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N6O2/c1-10-16-7-12(15(23)19-10)14(22)17-8-13-20-18-9-21(13)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,22)(H,16,19,23)
InChIKeyNCNLQOUIVPEQPM-UHFFFAOYSA-N
XLogP1.11
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72861823) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2nncn2C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NCNLQOUIVPEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-16-7-12(15(23)19-10)14(22)17-8-13-20-18-9-21(13)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,22)(H,16,19,23).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72861823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).