N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide

C16H23N5O — CID 127254482

IUPACN-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)Nc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O/c22-14(9-6-12-21-10-4-5-11-21)17-16-18-15(19-20-16)13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2,(H2,17,18,19,20,22)
InChIKeyLNCNCCQXGODKOF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds6

About N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide

N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 127254482) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
PubChem CID127254482
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)Nc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O/c22-14(9-6-12-21-10-4-5-11-21)17-16-18-15(19-20-16)13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2,(H2,17,18,19,20,22)
InChIKeyLNCNCCQXGODKOF-UHFFFAOYSA-N
XLogP3.07
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazol-3-yl]-6-pyrrol-1-ylhexanamide
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N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71707880
(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123868
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962696
N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 124862983
6-pyrrol-1-yl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)hexanamide
CID 127255326
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 71703140
(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiourea
CID 168992131
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
CID 86791272
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
CID 75506471
4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide (CID 127254482) is N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide is O=C(CCCn1cccc1)Nc1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is LNCNCCQXGODKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-14(9-6-12-21-10-4-5-11-21)17-16-18-15(19-20-16)13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2,(H2,17,18,19,20,22).
What are the key properties of N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 127254482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).