N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine

C11H15N5 — CID 892578

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine
SMILESCN(C)c1ccc(CNn2cnnc2)cc1
InChIInChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZPORTAACPUBAHX-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.09
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine (PubChem CID 892578) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine
PubChem CID892578
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine
SMILESCN(C)c1ccc(CNn2cnnc2)cc1
InChIInChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZPORTAACPUBAHX-UHFFFAOYSA-N
XLogP1.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine (CID 892578) is N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine is CN(C)c1ccc(CNn2cnnc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is ZPORTAACPUBAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 892578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).