N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide

C12H22N6O — CID 64518291

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CN(C)C(=O)C(C)N2CCNCC2)n[nH]1
InChIInChI=1S/C12H22N6O/c1-9(18-6-4-13-5-7-18)12(19)17(3)8-11-14-10(2)15-16-11/h9,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDDQNLWPSEYKJAM-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.63
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 64518291) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID64518291
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CN(C)C(=O)C(C)N2CCNCC2)n[nH]1
InChIInChI=1S/C12H22N6O/c1-9(18-6-4-13-5-7-18)12(19)17(3)8-11-14-10(2)15-16-11/h9,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDDQNLWPSEYKJAM-UHFFFAOYSA-N
XLogP-0.63
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
2-(3-butyl-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 70777185
N-Cyclohexyl-2-(5-methyl-4H-1,2,4-triazol-3-YL)piperidine-1-carboxamide
CID 110194759
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
CID 110194762
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-3-sulfanylpropan-1-one
CID 177681010
N-[(1S)-2-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propyl]acetamide
CID 95136384
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
CID 99951540
4,4,4-trifluoro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 99959987
2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 99972209
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
(2S)-2-acetamido-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanamide
CID 125518704
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide (CID 64518291) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide is Cc1nc(CN(C)C(=O)C(C)N2CCNCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is DDQNLWPSEYKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(18-6-4-13-5-7-18)12(19)17(3)8-11-14-10(2)15-16-11/h9,13H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 266.35 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 64518291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).