N,N-dimethyl-1,2,3-benzotriazin-4-amine

C9H10N4 — CID 14358639

IUPACN,N-dimethyl-1,2,3-benzotriazin-4-amine
SMILESCN(C)c1nnnc2ccccc12
InChIInChI=1S/C9H10N4/c1-13(2)9-7-5-3-4-6-8(7)10-12-11-9/h3-6H,1-2H3
InChIKeyXLSRPNBTMQQZKK-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.09
Rot. Bonds1

About N,N-dimethyl-1,2,3-benzotriazin-4-amine

N,N-dimethyl-1,2,3-benzotriazin-4-amine (PubChem CID 14358639) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N,N-dimethyl-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2,3-benzotriazin-4-amine
PubChem CID14358639
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN,N-dimethyl-1,2,3-benzotriazin-4-amine
SMILESCN(C)c1nnnc2ccccc12
InChIInChI=1S/C9H10N4/c1-13(2)9-7-5-3-4-6-8(7)10-12-11-9/h3-6H,1-2H3
InChIKeyXLSRPNBTMQQZKK-UHFFFAOYSA-N
XLogP1.09
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2,3-benzotriazin-4-amine?
The IUPAC name of N,N-dimethyl-1,2,3-benzotriazin-4-amine (CID 14358639) is N,N-dimethyl-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N,N-dimethyl-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N,N-dimethyl-1,2,3-benzotriazin-4-amine is CN(C)c1nnnc2ccccc12.
What is the InChIKey of N,N-dimethyl-1,2,3-benzotriazin-4-amine?
The InChIKey is XLSRPNBTMQQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13(2)9-7-5-3-4-6-8(7)10-12-11-9/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1,2,3-benzotriazin-4-amine?
N,N-dimethyl-1,2,3-benzotriazin-4-amine has a molecular weight of 174.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 14358639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).