6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine

C16H13N7 — CID 163214067

IUPAC6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(-c3cn(-c4ccccc4)nn3)ccc2n1
InChIInChI=1S/C16H13N7/c17-15-12-8-10(6-7-13(12)19-16(18)20-15)14-9-23(22-21-14)11-4-2-1-3-5-11/h1-9H,(H4,17,18,19,20)
InChIKeyBWXQFKXJANVSEL-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.04
Rot. Bonds2

About 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine

6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine (PubChem CID 163214067) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine
PubChem CID163214067
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(-c3cn(-c4ccccc4)nn3)ccc2n1
InChIInChI=1S/C16H13N7/c17-15-12-8-10(6-7-13(12)19-16(18)20-15)14-9-23(22-21-14)11-4-2-1-3-5-11/h1-9H,(H4,17,18,19,20)
InChIKeyBWXQFKXJANVSEL-UHFFFAOYSA-N
XLogP2.04
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine (CID 163214067) is 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine is Nc1nc(N)c2cc(-c3cn(-c4ccccc4)nn3)ccc2n1.
What is the InChIKey of 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is BWXQFKXJANVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c17-15-12-8-10(6-7-13(12)19-16(18)20-15)14-9-23(22-21-14)11-4-2-1-3-5-11/h1-9H,(H4,17,18,19,20).
What are the key properties of 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine?
6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenyltriazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 163214067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).