1-quinazolin-4-yl-1,2,4-triazol-3-amine

C10H8N6 — CID 61176972

IUPAC1-quinazolin-4-yl-1,2,4-triazol-3-amine
SMILESNc1ncn(-c2ncnc3ccccc23)n1
InChIInChI=1S/C10H8N6/c11-10-14-6-16(15-10)9-7-3-1-2-4-8(7)12-5-13-9/h1-6H,(H2,11,15)
InChIKeySBDWFAWWUULQTK-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.79
Rot. Bonds1

About 1-quinazolin-4-yl-1,2,4-triazol-3-amine

1-quinazolin-4-yl-1,2,4-triazol-3-amine (PubChem CID 61176972) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-quinazolin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-quinazolin-4-yl-1,2,4-triazol-3-amine
PubChem CID61176972
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-quinazolin-4-yl-1,2,4-triazol-3-amine
SMILESNc1ncn(-c2ncnc3ccccc23)n1
InChIInChI=1S/C10H8N6/c11-10-14-6-16(15-10)9-7-3-1-2-4-8(7)12-5-13-9/h1-6H,(H2,11,15)
InChIKeySBDWFAWWUULQTK-UHFFFAOYSA-N
XLogP0.79
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
4-(azepan-1-yl)quinazoline
CID 5207391
1-(5-bromoisoquinolin-1-yl)-1,2,4-triazol-3-amine
CID 106541716
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole
CID 166905672
(4-methyl-1-quinazolin-4-ylpiperidin-4-yl)methanamine
CID 107160471
(3aR,7aS)-2-quinazolin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142833
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
1-furo[3,2-c]pyridin-4-yl-1,2,4-triazol-3-amine
CID 106535472

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 1-quinazolin-4-yl-1,2,4-triazol-3-amine (CID 61176972) is 1-quinazolin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-quinazolin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-quinazolin-4-yl-1,2,4-triazol-3-amine is Nc1ncn(-c2ncnc3ccccc23)n1.
What is the InChIKey of 1-quinazolin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is SBDWFAWWUULQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-10-14-6-16(15-10)9-7-3-1-2-4-8(7)12-5-13-9/h1-6H,(H2,11,15).
What are the key properties of 1-quinazolin-4-yl-1,2,4-triazol-3-amine?
1-quinazolin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 212.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 61176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).