2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C9H8N6O — CID 69312245

IUPAC2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H8N6O/c10-6-4-7(11)15-9(12-6)13-8(14-15)5-2-1-3-16-5/h1-4H,11H2,(H2,10,12,13,14)
InChIKeyUJLFISSHKUHKCI-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.55
Rot. Bonds1

About 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 69312245) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID69312245
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H8N6O/c10-6-4-7(11)15-9(12-6)13-8(14-15)5-2-1-3-16-5/h1-4H,11H2,(H2,10,12,13,14)
InChIKeyUJLFISSHKUHKCI-UHFFFAOYSA-N
XLogP0.55
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 10135804
7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313614
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 15730118
5-N-benzyl-2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 10223656
5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 51051139
3-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]propanal
CID 159141943
4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol
CID 163927085
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 15729956
6-(2,2-dimethoxyethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312099
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 69312245) is 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is Nc1cc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is UJLFISSHKUHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c10-6-4-7(11)15-9(12-6)13-8(14-15)5-2-1-3-16-5/h1-4H,11H2,(H2,10,12,13,14).
What are the key properties of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 216.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 69312245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).