N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide

C14H18N4O — CID 6499834

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
SMILESCc1nc(C)n(C(C)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-10(18-12(3)16-11(2)17-18)9-15-14(19)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyWDPIQKMDHUNVDP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide (PubChem CID 6499834) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
PubChem CID6499834
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
SMILESCc1nc(C)n(C(C)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-10(18-12(3)16-11(2)17-18)9-15-14(19)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyWDPIQKMDHUNVDP-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide (CID 6499834) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide is Cc1nc(C)n(C(C)CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide?
The InChIKey is WDPIQKMDHUNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(18-12(3)16-11(2)17-18)9-15-14(19)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide is sourced from PubChem (CID 6499834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).