2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid

C16H15N5O2 — CID 94935955

IUPAC2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
SMILESNCc1nnn(-c2ccc(CC(=O)O)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15N5O2/c17-10-14-16(12-5-7-18-8-6-12)21(20-19-14)13-3-1-11(2-4-13)9-15(22)23/h1-8H,9-10,17H2,(H,22,23)
InChIKeyKQLIEDZMQQOPSF-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.42
Rot. Bonds5

About 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid

2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid (PubChem CID 94935955) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
PubChem CID94935955
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
SMILESNCc1nnn(-c2ccc(CC(=O)O)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15N5O2/c17-10-14-16(12-5-7-18-8-6-12)21(20-19-14)13-3-1-11(2-4-13)9-15(22)23/h1-8H,9-10,17H2,(H,22,23)
InChIKeyKQLIEDZMQQOPSF-UHFFFAOYSA-N
XLogP1.42
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(aminomethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetic acid
CID 94935952
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
CID 82195554
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
methyl 4-[4-(aminomethyl)-5-phenyltriazol-1-yl]benzoate
CID 94939721
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
4-(4-formyl-5-pyridin-4-yltriazol-1-yl)benzoic acid
CID 82199993
N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123710
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid (CID 94935955) is 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid is NCc1nnn(-c2ccc(CC(=O)O)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid?
The InChIKey is KQLIEDZMQQOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-10-14-16(12-5-7-18-8-6-12)21(20-19-14)13-3-1-11(2-4-13)9-15(22)23/h1-8H,9-10,17H2,(H,22,23).
What are the key properties of 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid?
2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 94935955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).