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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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).