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

C17H19N5O — CID 166785639

IUPACN-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C17H19N5O/c1-12-4-6-13(7-5-12)15-10-19-17(22-11-20-21-16(15)22)18-9-14-3-2-8-23-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,18,19)
InChIKeyNPRPPBTYNUUZIV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds4

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

N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 166785639) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID166785639
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C17H19N5O/c1-12-4-6-13(7-5-12)15-10-19-17(22-11-20-21-16(15)22)18-9-14-3-2-8-23-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,18,19)
InChIKeyNPRPPBTYNUUZIV-UHFFFAOYSA-N
XLogP3.53
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(furan-2-ylmethyl)-8-(1H-indol-7-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 167312313
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-[5-[2-(2-aminoethoxy)ethoxy]pentyl]-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
CID 164725221
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
3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 71212981
N-(furan-2-ylmethyl)-1-methyl-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820330
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
1-ethyl-N-(furan-2-ylmethyl)-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820444
boranuide;8-bromo-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157087470
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(6-ethoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432941
8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432905

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 166785639) is N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is NPRPPBTYNUUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-4-6-13(7-5-12)15-10-19-17(22-11-20-21-16(15)22)18-9-14-3-2-8-23-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 309.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 166785639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).