1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide

C15H22N6O — CID 125443628

IUPAC1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C15H22N6O/c1-3-7-21-13(17-10-18-21)12(2)19-14(22)15(4-5-15)9-20-8-6-16-11-20/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKCTFDPVTBJGMQF-LBPRGKRZSA-N
MW302.38 g/mol
LogP1.54
Rot. Bonds7

About 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide

1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 125443628) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID125443628
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C15H22N6O/c1-3-7-21-13(17-10-18-21)12(2)19-14(22)15(4-5-15)9-20-8-6-16-11-20/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKCTFDPVTBJGMQF-LBPRGKRZSA-N
XLogP1.54
TPSA77.63 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 125441446
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 131951634
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796

Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide (CID 125443628) is 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide is CCCn1ncnc1[C@H](C)NC(=O)C1(Cn2ccnc2)CC1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KCTFDPVTBJGMQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-7-21-13(17-10-18-21)12(2)19-14(22)15(4-5-15)9-20-8-6-16-11-20/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 125443628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).