6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine

C17H15N7O — CID 163214075

IUPAC6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESCOc1cccc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)c1
InChIInChI=1S/C17H15N7O/c1-25-12-4-2-3-11(8-12)24-9-15(22-23-24)10-5-6-14-13(7-10)16(18)21-17(19)20-14/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyFXUKKZCFJJZIAD-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.05
Rot. Bonds3

About 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine

6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine (PubChem CID 163214075) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
PubChem CID163214075
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESCOc1cccc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)c1
InChIInChI=1S/C17H15N7O/c1-25-12-4-2-3-11(8-12)24-9-15(22-23-24)10-5-6-14-13(7-10)16(18)21-17(19)20-14/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyFXUKKZCFJJZIAD-UHFFFAOYSA-N
XLogP2.05
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine (CID 163214075) is 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine is COc1cccc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)c1.
What is the InChIKey of 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The InChIKey is FXUKKZCFJJZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-25-12-4-2-3-11(8-12)24-9-15(22-23-24)10-5-6-14-13(7-10)16(18)21-17(19)20-14/h2-9H,1H3,(H4,18,19,20,21).
What are the key properties of 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine has a molecular weight of 333.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 163214075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).