N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H18N6O — CID 53045695

IUPACN-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2ccco2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C18H18N6O/c1-12(2)15-9-16(20-11-14-6-4-8-25-14)24-18(21-15)22-17(23-24)13-5-3-7-19-10-13/h3-10,12,20H,11H2,1-2H3
InChIKeyWOBGCPBTSRRFFK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.51
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53045695) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53045695
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2ccco2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C18H18N6O/c1-12(2)15-9-16(20-11-14-6-4-8-25-14)24-18(21-15)22-17(23-24)13-5-3-7-19-10-13/h3-10,12,20H,11H2,1-2H3
InChIKeyWOBGCPBTSRRFFK-UHFFFAOYSA-N
XLogP3.51
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53045695) is N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCc2ccco2)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WOBGCPBTSRRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12(2)15-9-16(20-11-14-6-4-8-25-14)24-18(21-15)22-17(23-24)13-5-3-7-19-10-13/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 334.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53045695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).