1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine

C10H13N5 — CID 56737301

IUPAC1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccc(-n2cnnc2)cc1N
InChIInChI=1S/C10H13N5/c1-14(2)10-4-3-8(5-9(10)11)15-6-12-13-7-15/h3-7H,11H2,1-2H3
InChIKeyBRBZXHKMCRKPSY-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.92
Rot. Bonds2

About 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine

1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine (PubChem CID 56737301) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine
PubChem CID56737301
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccc(-n2cnnc2)cc1N
InChIInChI=1S/C10H13N5/c1-14(2)10-4-3-8(5-9(10)11)15-6-12-13-7-15/h3-7H,11H2,1-2H3
InChIKeyBRBZXHKMCRKPSY-UHFFFAOYSA-N
XLogP0.92
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine (CID 56737301) is 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine is CN(C)c1ccc(-n2cnnc2)cc1N.
What is the InChIKey of 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine?
The InChIKey is BRBZXHKMCRKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-14(2)10-4-3-8(5-9(10)11)15-6-12-13-7-15/h3-7H,11H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine?
1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine has a molecular weight of 203.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-(1,2,4-triazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 56737301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).