5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine

C9H11N5 — CID 61319975

IUPAC5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine
SMILESCNc1ccccc1-c1nc(N)n[nH]1
InChIInChI=1S/C9H11N5/c1-11-7-5-3-2-4-6(7)8-12-9(10)14-13-8/h2-5,11H,1H3,(H3,10,12,13,14)
InChIKeyVJRLYLHFXDVRDC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.10
Rot. Bonds2

About 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine

5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 61319975) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID61319975
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine
SMILESCNc1ccccc1-c1nc(N)n[nH]1
InChIInChI=1S/C9H11N5/c1-11-7-5-3-2-4-6(7)8-12-9(10)14-13-8/h2-5,11H,1H3,(H3,10,12,13,14)
InChIKeyVJRLYLHFXDVRDC-UHFFFAOYSA-N
XLogP1.10
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine (CID 61319975) is 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine is CNc1ccccc1-c1nc(N)n[nH]1.
What is the InChIKey of 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is VJRLYLHFXDVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-11-7-5-3-2-4-6(7)8-12-9(10)14-13-8/h2-5,11H,1H3,(H3,10,12,13,14).
What are the key properties of 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine?
5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61319975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).