N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide

C12H21N5O2 — CID 136607695

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C12H21N5O2/c1-9(17-6-2-3-7-17)4-5-11(18)13-8-10-14-12(19)16-15-10/h9H,2-8H2,1H3,(H,13,18)(H2,14,15,16,19)
InChIKeyAOBMTMWXTZVPGE-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.02
Rot. Bonds6

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide (PubChem CID 136607695) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
PubChem CID136607695
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C12H21N5O2/c1-9(17-6-2-3-7-17)4-5-11(18)13-8-10-14-12(19)16-15-10/h9H,2-8H2,1H3,(H,13,18)(H2,14,15,16,19)
InChIKeyAOBMTMWXTZVPGE-UHFFFAOYSA-N
XLogP-0.02
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Dimethyl-1-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentane-1,2-dione
CID 136043040
(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
CID 136997103
3-[1-(2-Methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 172548546
1-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 176026082
5-[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]pyrrolidin-2-one
CID 64432041
5-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]pyrrolidin-2-one
CID 64432437
(2R)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 129609436
(2S)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 129609437
N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide formate
CID 131894887
N~2~-acetyl-N~1~-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-L-leucinamide
CID 136282802
N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide
CID 136642289
(4S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 136703699

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide (CID 136607695) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide is CC(CCC(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The InChIKey is AOBMTMWXTZVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(17-6-2-3-7-17)4-5-11(18)13-8-10-14-12(19)16-15-10/h9H,2-8H2,1H3,(H,13,18)(H2,14,15,16,19).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide has a molecular weight of 267.33 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 136607695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).