N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H21N5O — CID 133364796

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCCC3OCCC23)n2ncnc2n1
InChIInChI=1S/C15H21N5O/c1-2-10-8-14(20-15(18-10)16-9-17-20)19-12-4-3-5-13-11(12)6-7-21-13/h8-9,11-13,19H,2-7H2,1H3
InChIKeyQBMASLGKOCKDNJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.06
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133364796) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133364796
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCCC3OCCC23)n2ncnc2n1
InChIInChI=1S/C15H21N5O/c1-2-10-8-14(20-15(18-10)16-9-17-20)19-12-4-3-5-13-11(12)6-7-21-13/h8-9,11-13,19H,2-7H2,1H3
InChIKeyQBMASLGKOCKDNJ-UHFFFAOYSA-N
XLogP2.06
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide
CID 133421515
5-ethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133365586
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
4-N,6-N-bis(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrimidine-4,6-diamine
CID 127909650
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-methylpyrimidin-4-amine
CID 133364679
5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133348299
(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
CID 138019417
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133441701
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289522

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133364796) is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCCC3OCCC23)n2ncnc2n1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QBMASLGKOCKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-10-8-14(20-15(18-10)16-9-17-20)19-12-4-3-5-13-11(12)6-7-21-13/h8-9,11-13,19H,2-7H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133364796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).