N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine

C17H16N6 — CID 59648370

IUPACN,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
SMILESCc1nc(N(C)c2ccc3c(c2)nnn3C)c2ccccc2n1
InChIInChI=1S/C17H16N6/c1-11-18-14-7-5-4-6-13(14)17(19-11)22(2)12-8-9-16-15(10-12)20-21-23(16)3/h4-10H,1-3H3
InChIKeyRBUYTAUNYOHSGG-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.99
Rot. Bonds2

About N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine

N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine (PubChem CID 59648370) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
PubChem CID59648370
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
SMILESCc1nc(N(C)c2ccc3c(c2)nnn3C)c2ccccc2n1
InChIInChI=1S/C17H16N6/c1-11-18-14-7-5-4-6-13(14)17(19-11)22(2)12-8-9-16-15(10-12)20-21-23(16)3/h4-10H,1-3H3
InChIKeyRBUYTAUNYOHSGG-UHFFFAOYSA-N
XLogP2.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine (CID 59648370) is N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine is Cc1nc(N(C)c2ccc3c(c2)nnn3C)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine?
The InChIKey is RBUYTAUNYOHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11-18-14-7-5-4-6-13(14)17(19-11)22(2)12-8-9-16-15(10-12)20-21-23(16)3/h4-10H,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine?
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 59648370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).