3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide

C11H20N6O — CID 112535355

IUPAC3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cn(C)nn2)CC1
InChIInChI=1S/C11H20N6O/c1-15-5-7-17(8-6-15)4-3-11(18)12-10-9-16(2)14-13-10/h9H,3-8H2,1-2H3,(H,12,18)
InChIKeyKZCOBJLRMQGJQR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.61
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide

3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide (PubChem CID 112535355) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide
PubChem CID112535355
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cn(C)nn2)CC1
InChIInChI=1S/C11H20N6O/c1-15-5-7-17(8-6-15)4-3-11(18)12-10-9-16(2)14-13-10/h9H,3-8H2,1-2H3,(H,12,18)
InChIKeyKZCOBJLRMQGJQR-UHFFFAOYSA-N
XLogP-0.61
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide (CID 112535355) is 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide is CN1CCN(CCC(=O)Nc2cn(C)nn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide?
The InChIKey is KZCOBJLRMQGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-15-5-7-17(8-6-15)4-3-11(18)12-10-9-16(2)14-13-10/h9H,3-8H2,1-2H3,(H,12,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide?
3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 112535355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).