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

C12H18N6O — CID 125443935

IUPAC5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)c1nc[nH]c1C
InChIInChI=1S/C12H18N6O/c1-4-5-18-11(15-7-16-18)9(3)17-12(19)10-8(2)13-6-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,17,19)/t9-/m0/s1
InChIKeyUMSMLBGHLRSTGS-VIFPVBQESA-N
MW262.32 g/mol
LogP1.21
Rot. Bonds5

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

5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide (PubChem CID 125443935) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
PubChem CID125443935
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)c1nc[nH]c1C
InChIInChI=1S/C12H18N6O/c1-4-5-18-11(15-7-16-18)9(3)17-12(19)10-8(2)13-6-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,17,19)/t9-/m0/s1
InChIKeyUMSMLBGHLRSTGS-VIFPVBQESA-N
XLogP1.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide (CID 125443935) is 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide is CCCn1ncnc1[C@H](C)NC(=O)c1nc[nH]c1C.
What is the InChIKey of 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is UMSMLBGHLRSTGS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-18-11(15-7-16-18)9(3)17-12(19)10-8(2)13-6-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,17,19)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 125443935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).