N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide

C14H21N5O — CID 131910883

IUPACN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
SMILESCCCn1cnnc1CNC(=O)C(CC)n1cccc1
InChIInChI=1S/C14H21N5O/c1-3-7-19-11-16-17-13(19)10-15-14(20)12(4-2)18-8-5-6-9-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,15,20)
InChIKeyHDZFFHRJLNGDEW-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.76
Rot. Bonds7

About N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide (PubChem CID 131910883) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
PubChem CID131910883
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
SMILESCCCn1cnnc1CNC(=O)C(CC)n1cccc1
InChIInChI=1S/C14H21N5O/c1-3-7-19-11-16-17-13(19)10-15-14(20)12(4-2)18-8-5-6-9-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,15,20)
InChIKeyHDZFFHRJLNGDEW-UHFFFAOYSA-N
XLogP1.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 131922833
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
(2S)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 95132421
(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 95132420
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
2-(4-chlorophenyl)sulfanyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 91840002
(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 118793368

Frequently Asked Questions

What is the IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide (CID 131910883) is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide is CCCn1cnnc1CNC(=O)C(CC)n1cccc1.
What is the InChIKey of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide?
The InChIKey is HDZFFHRJLNGDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-7-19-11-16-17-13(19)10-15-14(20)12(4-2)18-8-5-6-9-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,15,20).
What are the key properties of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide?
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 131910883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).