N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide

C15H24N4O2 — CID 124753495

IUPACN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)C1CCC(O)CC1)C1CC1
InChIInChI=1S/C15H24N4O2/c1-2-19-14(16-9-17-19)13(10-3-4-10)18-15(21)11-5-7-12(20)8-6-11/h9-13,20H,2-8H2,1H3,(H,18,21)/t11?,12?,13-/m1/s1
InChIKeyMDOZDSSRSYZDNY-WXRRBKDZSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds5

About N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide

N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 124753495) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID124753495
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)C1CCC(O)CC1)C1CC1
InChIInChI=1S/C15H24N4O2/c1-2-19-14(16-9-17-19)13(10-3-4-10)18-15(21)11-5-7-12(20)8-6-11/h9-13,20H,2-8H2,1H3,(H,18,21)/t11?,12?,13-/m1/s1
InChIKeyMDOZDSSRSYZDNY-WXRRBKDZSA-N
XLogP1.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161407
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161410
1-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 97284585
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 126428818
3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 125158590

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide (CID 124753495) is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide is CCn1ncnc1[C@H](NC(=O)C1CCC(O)CC1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is MDOZDSSRSYZDNY-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-14(16-9-17-19)13(10-3-4-10)18-15(21)11-5-7-12(20)8-6-11/h9-13,20H,2-8H2,1H3,(H,18,21)/t11?,12?,13-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide?
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 124753495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).