N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C12H22N6O — CID 71898049

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCN1CCN(C)CC1)n1cncn1
InChIInChI=1S/C12H22N6O/c1-11(18-10-13-9-15-18)12(19)14-3-4-17-7-5-16(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,19)
InChIKeyHVKJFADHUDSTQL-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.80
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 71898049) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID71898049
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCN1CCN(C)CC1)n1cncn1
InChIInChI=1S/C12H22N6O/c1-11(18-10-13-9-15-18)12(19)14-3-4-17-7-5-16(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,19)
InChIKeyHVKJFADHUDSTQL-UHFFFAOYSA-N
XLogP-0.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 71898049) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCN1CCN(C)CC1)n1cncn1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HVKJFADHUDSTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-11(18-10-13-9-15-18)12(19)14-3-4-17-7-5-16(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,19).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 266.35 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 71898049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).