N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C10H18N6O3S — CID 175726670

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)16-6-4-15(5-7-16)3-2-11-10(17)9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyBDMOIFUGWCBZIV-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.89
Rot. Bonds5

About N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 175726670) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID175726670
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)16-6-4-15(5-7-16)3-2-11-10(17)9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyBDMOIFUGWCBZIV-UHFFFAOYSA-N
XLogP-1.89
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 15294885
1-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 44721322
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 67184418
N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 80362320
N-(2-piperidin-1-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 80373669
(3,3-dimethylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122573948
1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide
CID 54885050
2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885238
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 55115241
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide
CID 60580010
2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60982279
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60982398

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 175726670) is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is CS(=O)(=O)N1CCN(CCNC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BDMOIFUGWCBZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-20(18,19)16-6-4-15(5-7-16)3-2-11-10(17)9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,17)(H,12,13,14).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 175726670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).