7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C15H12N6O — CID 10193038

IUPAC7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1
InChIInChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18)
InChIKeyACHCEXBCXBDHMK-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.22
Rot. Bonds2

About 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10193038) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10193038
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1
InChIInChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18)
InChIKeyACHCEXBCXBDHMK-UHFFFAOYSA-N
XLogP2.22
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
Mrs-1220
CID 393595
9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
Mrs1177
CID 10045876
Mrs1186
CID 10065929
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
2-(Furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10127804
2-(Furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10196061
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea
CID 10225178
4-(Furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10246959

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10193038) is 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1.
What is the InChIKey of 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is ACHCEXBCXBDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18).
What are the key properties of 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 292.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10193038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).