N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine

C15H12N6 — CID 167884841

IUPACN-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCc3ccc4n[nH]nc4c3)ncc2c1
InChIInChI=1S/C15H12N6/c1-2-4-12-11(3-1)9-17-15(18-12)16-8-10-5-6-13-14(7-10)20-21-19-13/h1-7,9H,8H2,(H,16,17,18)(H,19,20,21)
InChIKeyUXRWEHKYEKONQY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.51
Rot. Bonds3

About N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine

N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine (PubChem CID 167884841) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
PubChem CID167884841
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC NameN-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCc3ccc4n[nH]nc4c3)ncc2c1
InChIInChI=1S/C15H12N6/c1-2-4-12-11(3-1)9-17-15(18-12)16-8-10-5-6-13-14(7-10)20-21-19-13/h1-7,9H,8H2,(H,16,17,18)(H,19,20,21)
InChIKeyUXRWEHKYEKONQY-UHFFFAOYSA-N
XLogP2.51
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine?
The IUPAC name of N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine (CID 167884841) is N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine.
What is the SMILES notation for N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine?
The canonical SMILES for N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine is c1ccc2nc(NCc3ccc4n[nH]nc4c3)ncc2c1.
What is the InChIKey of N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine?
The InChIKey is UXRWEHKYEKONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-4-12-11(3-1)9-17-15(18-12)16-8-10-5-6-13-14(7-10)20-21-19-13/h1-7,9H,8H2,(H,16,17,18)(H,19,20,21).
What are the key properties of N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine?
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine is sourced from PubChem (CID 167884841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).