trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide

C10H12N6O — CID 167958471

IUPACtrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]n1
InChIInChI=1S/C10H12N6O/c1-16-5-11-3-8(16)6-2-7(6)10(17)13-9-4-12-15-14-9/h3-7H,2H2,1H3,(H2,12,13,14,15,17)/t6-,7-/m1/s1
InChIKeyVFIHCLFJOJOAHI-RNFRBKRXSA-N
MW232.25 g/mol
LogP0.28
Rot. Bonds3

About trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 167958471) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
PubChem CID167958471
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Nametrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]n1
InChIInChI=1S/C10H12N6O/c1-16-5-11-3-8(16)6-2-7(6)10(17)13-9-4-12-15-14-9/h3-7H,2H2,1H3,(H2,12,13,14,15,17)/t6-,7-/m1/s1
InChIKeyVFIHCLFJOJOAHI-RNFRBKRXSA-N
XLogP0.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 138027191
2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
CID 122236347
4-fluoro-3-[[(1R,2R)-2-(3-methylimidazol-4-yl)cyclopropanecarbonyl]amino]benzoic acid
CID 138054801
trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 167847262
(1S,2R,4R)-N-(2H-triazol-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154867617
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486601
2-(3-methylimidazol-4-yl)cyclopropan-1-amine
CID 66119241
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66116304
2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66116512
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide (CID 167958471) is trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide is Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]n1.
What is the InChIKey of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is VFIHCLFJOJOAHI-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16-5-11-3-8(16)6-2-7(6)10(17)13-9-4-12-15-14-9/h3-7H,2H2,1H3,(H2,12,13,14,15,17)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167958471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).