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

C12H18N6O — CID 125444302

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1nc[nH]c1C)c1ncnn1CC
InChIInChI=1S/C12H18N6O/c1-4-9(11-15-7-16-18(11)5-2)17-12(19)10-8(3)13-6-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,17,19)/t9-/m0/s1
InChIKeyDYJDHZSACORDFE-VIFPVBQESA-N
MW262.32 g/mol
LogP1.21
Rot. Bonds5

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

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 125444302) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID125444302
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1nc[nH]c1C)c1ncnn1CC
InChIInChI=1S/C12H18N6O/c1-4-9(11-15-7-16-18(11)5-2)17-12(19)10-8(3)13-6-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,17,19)/t9-/m0/s1
InChIKeyDYJDHZSACORDFE-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 N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide (CID 125444302) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide is CC[C@H](NC(=O)c1nc[nH]c1C)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is DYJDHZSACORDFE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9(11-15-7-16-18(11)5-2)17-12(19)10-8(3)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 N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-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 N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 125444302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).