N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C18H14N6O — CID 167312313

IUPACN-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1coc(CNc2ncc(-c3cccc4cc[nH]c34)c3nncn23)c1
InChIInChI=1S/C18H14N6O/c1-3-12-6-7-19-16(12)14(5-1)15-10-21-18(24-11-22-23-17(15)24)20-9-13-4-2-8-25-13/h1-8,10-11,19H,9H2,(H,20,21)
InChIKeyQIEWQHLMHMLRBF-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.48
Rot. Bonds4

About N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 167312313) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID167312313
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1coc(CNc2ncc(-c3cccc4cc[nH]c34)c3nncn23)c1
InChIInChI=1S/C18H14N6O/c1-3-12-6-7-19-16(12)14(5-1)15-10-21-18(24-11-22-23-17(15)24)20-9-13-4-2-8-25-13/h1-8,10-11,19H,9H2,(H,20,21)
InChIKeyQIEWQHLMHMLRBF-UHFFFAOYSA-N
XLogP3.48
TPSA84.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 166785639
2,2-difluoro-1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 138516178
N-[5-[2-(2-aminoethoxy)ethoxy]pentyl]-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
CID 164725221
2-[3-[4-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]piperazin-1-yl]propoxy]acetic acid
CID 154675497
N-(furan-2-ylmethyl)-1-methyl-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820330
1-ethyl-N-(furan-2-ylmethyl)-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820444
tert-butyl N-[(E)-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]hept-4-enyl]carbamate
CID 166785524
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 137349703
2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[2-[2-[4-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-3a,4-dihydroisoindole-1,3-dione
CID 166885598
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 138516086

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 167312313) is N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is c1coc(CNc2ncc(-c3cccc4cc[nH]c34)c3nncn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is QIEWQHLMHMLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-3-12-6-7-19-16(12)14(5-1)15-10-21-18(24-11-22-23-17(15)24)20-9-13-4-2-8-25-13/h1-8,10-11,19H,9H2,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 330.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 167312313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).