2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C15H19N5O — CID 119866390

IUPAC2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCN1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(8-13-2-1-7-17-13)18-9-12-3-5-14(6-4-12)20-11-16-10-19-20/h3-6,10-11,13,17H,1-2,7-9H2,(H,18,21)
InChIKeyBFQUJNBATPBVOG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.03
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 119866390) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID119866390
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCN1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(8-13-2-1-7-17-13)18-9-12-3-5-14(6-4-12)20-11-16-10-19-20/h3-6,10-11,13,17H,1-2,7-9H2,(H,18,21)
InChIKeyBFQUJNBATPBVOG-UHFFFAOYSA-N
XLogP1.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119941653
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;dihydrochloride
CID 119941652
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
CID 119746107
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
2-thiomorpholin-3-yl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119939028
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119716948
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
CID 79538123
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 119866390) is 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is O=C(CC1CCCN1)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is BFQUJNBATPBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(8-13-2-1-7-17-13)18-9-12-3-5-14(6-4-12)20-11-16-10-19-20/h3-6,10-11,13,17H,1-2,7-9H2,(H,18,21).
What are the key properties of 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 119866390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).