N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C20H14N6O2 — CID 156537524

IUPACN-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccc2ccccc2c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C20H14N6O2/c1-24(15-7-6-13-4-2-3-5-14(13)10-15)19-17-9-8-16(26(27)28)11-18(17)25-12-21-23-20(25)22-19/h2-12H,1H3
InChIKeyYSJGYVKPMMQIRQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.11
Rot. Bonds3

About N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156537524) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156537524
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC NameN-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccc2ccccc2c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C20H14N6O2/c1-24(15-7-6-13-4-2-3-5-14(13)10-15)19-17-9-8-16(26(27)28)11-18(17)25-12-21-23-20(25)22-19/h2-12H,1H3
InChIKeyYSJGYVKPMMQIRQ-UHFFFAOYSA-N
XLogP4.11
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156537524) is N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccc2ccccc2c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is YSJGYVKPMMQIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c1-24(15-7-6-13-4-2-3-5-14(13)10-15)19-17-9-8-16(26(27)28)11-18(17)25-12-21-23-20(25)22-19/h2-12H,1H3.
What are the key properties of N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 370.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156537524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).