N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H22N6O — CID 18191352

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(c2ccco2)N2CCCCC2)n2ncnc2n1
InChIInChI=1S/C17H22N6O/c1-13-10-16(23-17(21-13)19-12-20-23)18-11-14(15-6-5-9-24-15)22-7-3-2-4-8-22/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3
InChIKeyFVBGLGGVANIYQE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18191352) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18191352
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(c2ccco2)N2CCCCC2)n2ncnc2n1
InChIInChI=1S/C17H22N6O/c1-13-10-16(23-17(21-13)19-12-20-23)18-11-14(15-6-5-9-24-15)22-7-3-2-4-8-22/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3
InChIKeyFVBGLGGVANIYQE-UHFFFAOYSA-N
XLogP2.66
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18125403
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17495949
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113336552
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
CID 31661006
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324638
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47007393
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
CID 51308914
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18191352) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC(c2ccco2)N2CCCCC2)n2ncnc2n1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FVBGLGGVANIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13-10-16(23-17(21-13)19-12-20-23)18-11-14(15-6-5-9-24-15)22-7-3-2-4-8-22/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18191352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).