4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C11H10ClN7 — CID 62863325

IUPAC4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H10ClN7/c1-18(2)10-13-9(12)14-11(15-10)19-8-6-4-3-5-7(8)16-17-19/h3-6H,1-2H3
InChIKeyGBLFEJLZACQEKQ-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.32
Rot. Bonds2

About 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62863325) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62863325
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H10ClN7/c1-18(2)10-13-9(12)14-11(15-10)19-8-6-4-3-5-7(8)16-17-19/h3-6H,1-2H3
InChIKeyGBLFEJLZACQEKQ-UHFFFAOYSA-N
XLogP1.32
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62863325) is 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(-n2nnc3ccccc32)n1.
What is the InChIKey of 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is GBLFEJLZACQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c1-18(2)10-13-9(12)14-11(15-10)19-8-6-4-3-5-7(8)16-17-19/h3-6H,1-2H3.
What are the key properties of 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 275.70 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).