[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol

C16H13N5O2 — CID 10286375

IUPAC[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol
SMILESNc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H13N5O2/c17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13/h1-8,22H,9H2,(H2,17,18)
InChIKeyPZEWPXMEDKMEQJ-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.13
Rot. Bonds3

About [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol

[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol (PubChem CID 10286375) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol
PubChem CID10286375
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol
SMILESNc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H13N5O2/c17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13/h1-8,22H,9H2,(H2,17,18)
InChIKeyPZEWPXMEDKMEQJ-UHFFFAOYSA-N
XLogP2.13
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
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
7-[3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10309974
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
Desmethyl SCH 442416
CID 10362099
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
Propan-2-yl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 23570367
Tert-butyl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 23570387
5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2056940
N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539592

Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol (CID 10286375) is [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol is Nc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is PZEWPXMEDKMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13/h1-8,22H,9H2,(H2,17,18).
What are the key properties of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol?
[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 307.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 10286375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).