N-benzylbenzotriazol-1-amine

C13H12N4 — CID 4309

IUPACN-benzylbenzotriazol-1-amine
SMILESc1ccc(CNn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4/c1-2-6-11(7-3-1)10-14-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2
InChIKeyWTBFBDRLXNOOGE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.17
Rot. Bonds3

About N-benzylbenzotriazol-1-amine

N-benzylbenzotriazol-1-amine (PubChem CID 4309) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-benzylbenzotriazol-1-amine.

Molecular Properties

Compound NameN-benzylbenzotriazol-1-amine
PubChem CID4309
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-benzylbenzotriazol-1-amine
SMILESc1ccc(CNn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4/c1-2-6-11(7-3-1)10-14-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2
InChIKeyWTBFBDRLXNOOGE-UHFFFAOYSA-N
XLogP2.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzylbenzotriazol-1-amine?
The IUPAC name of N-benzylbenzotriazol-1-amine (CID 4309) is N-benzylbenzotriazol-1-amine.
What is the SMILES notation for N-benzylbenzotriazol-1-amine?
The canonical SMILES for N-benzylbenzotriazol-1-amine is c1ccc(CNn2nnc3ccccc32)cc1.
What is the InChIKey of N-benzylbenzotriazol-1-amine?
The InChIKey is WTBFBDRLXNOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-6-11(7-3-1)10-14-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2.
What are the key properties of N-benzylbenzotriazol-1-amine?
N-benzylbenzotriazol-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbenzotriazol-1-amine is sourced from PubChem (CID 4309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).