N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H24N6O — CID 47017047

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C17H24N6O/c1-2-21-9-11-22(12-10-21)16-6-4-3-5-15(16)20-17(24)7-8-23-14-18-13-19-23/h3-6,13-14H,2,7-12H2,1H3,(H,20,24)
InChIKeyBBVRRSCTTPDHEK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47017047) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47017047
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C17H24N6O/c1-2-21-9-11-22(12-10-21)16-6-4-3-5-15(16)20-17(24)7-8-23-14-18-13-19-23/h3-6,13-14H,2,7-12H2,1H3,(H,20,24)
InChIKeyBBVRRSCTTPDHEK-UHFFFAOYSA-N
XLogP1.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 47017047) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is CCN1CCN(c2ccccc2NC(=O)CCn2cncn2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BBVRRSCTTPDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-21-9-11-22(12-10-21)16-6-4-3-5-15(16)20-17(24)7-8-23-14-18-13-19-23/h3-6,13-14H,2,7-12H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47017047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).