4-(4-methyl-1,2,4-triazol-3-yl)aniline

C9H10N4 — CID 2794785

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(N)cc1
InChIInChI=1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
InChIKeyFUZWWFVYRMIXMT-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.06
Rot. Bonds1

About 4-(4-methyl-1,2,4-triazol-3-yl)aniline

4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 2794785) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID2794785
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(N)cc1
InChIInChI=1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
InChIKeyFUZWWFVYRMIXMT-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 855888
2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
CID 746455
1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
CID 2113244
2-(1H-1,2,4-triazol-5-yl)aniline
CID 3446512
3-(4-nitrophenyl)-1H-1,2,4-triazole
CID 2825224
3-(1H-1,2,4-Triazol-5-yl)benzenamine
CID 6484188
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 2794785) is 4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is FUZWWFVYRMIXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)aniline?
4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 174.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 2794785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).