N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine

C16H17N5 — CID 103203879

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
SMILESCN(Cc1ccccc1CN)c1nnc2ccccc2n1
InChIInChI=1S/C16H17N5/c1-21(11-13-7-3-2-6-12(13)10-17)16-18-14-8-4-5-9-15(14)19-20-16/h2-9H,10-11,17H2,1H3
InChIKeyLLHNWXQSVKPRAX-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.12
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 103203879) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
PubChem CID103203879
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
SMILESCN(Cc1ccccc1CN)c1nnc2ccccc2n1
InChIInChI=1S/C16H17N5/c1-21(11-13-7-3-2-6-12(13)10-17)16-18-14-8-4-5-9-15(14)19-20-16/h2-9H,10-11,17H2,1H3
InChIKeyLLHNWXQSVKPRAX-UHFFFAOYSA-N
XLogP2.12
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine (CID 103203879) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine is CN(Cc1ccccc1CN)c1nnc2ccccc2n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is LLHNWXQSVKPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21(11-13-7-3-2-6-12(13)10-17)16-18-14-8-4-5-9-15(14)19-20-16/h2-9H,10-11,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 279.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103203879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).