N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide

C13H17N5O — CID 115682692

IUPACN-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cnnn2C)cc1
InChIInChI=1S/C13H17N5O/c1-3-13(19)16-11-6-4-10(5-7-11)14-8-12-9-15-17-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,16,19)
InChIKeyVZNXFCQIGFUXQS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.78
Rot. Bonds5

About N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide

N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide (PubChem CID 115682692) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
PubChem CID115682692
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cnnn2C)cc1
InChIInChI=1S/C13H17N5O/c1-3-13(19)16-11-6-4-10(5-7-11)14-8-12-9-15-17-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,16,19)
InChIKeyVZNXFCQIGFUXQS-UHFFFAOYSA-N
XLogP1.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115682439
N-[(3-methyltriazol-4-yl)methyl]-4-nitroaniline
CID 113483011
N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115743018
N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide
CID 66131504
4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 154741415
N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide
CID 138035970
N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 115742901
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
4-ethoxy-3-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743266
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide (CID 115682692) is N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cnnn2C)cc1.
What is the InChIKey of N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide?
The InChIKey is VZNXFCQIGFUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-13(19)16-11-6-4-10(5-7-11)14-8-12-9-15-17-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,16,19).
What are the key properties of N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide?
N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 115682692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).