2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C13H24N6O — CID 91792781

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCN1CCCN(CC(=O)NCCc2ncnn2C)CC1
InChIInChI=1S/C13H24N6O/c1-17-6-3-7-19(9-8-17)10-13(20)14-5-4-12-15-11-16-18(12)2/h11H,3-10H2,1-2H3,(H,14,20)
InChIKeyWSFAYFMFQBHSMW-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.89
Rot. Bonds5

About 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 91792781) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID91792781
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCN1CCCN(CC(=O)NCCc2ncnn2C)CC1
InChIInChI=1S/C13H24N6O/c1-17-6-3-7-19(9-8-17)10-13(20)14-5-4-12-15-11-16-18(12)2/h11H,3-10H2,1-2H3,(H,14,20)
InChIKeyWSFAYFMFQBHSMW-UHFFFAOYSA-N
XLogP-0.89
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 47253016
4-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
CID 53505697
4-acetyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 71893357
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 71894045
1-[3-(Azepan-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71894068
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118739735
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 71892912
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
methyl N-[(2S)-1-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 100087263
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
N-(cyclopropylmethyl)-2-(3-cyclopropyl-1,2,4-triazol-1-yl)acetamide
CID 128432933

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 91792781) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CN1CCCN(CC(=O)NCCc2ncnn2C)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is WSFAYFMFQBHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-17-6-3-7-19(9-8-17)10-13(20)14-5-4-12-15-11-16-18(12)2/h11H,3-10H2,1-2H3,(H,14,20).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 280.38 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).