3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine

C19H18N6 — CID 144695368

IUPAC3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
SMILESc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)cc-2cc1
InChIInChI=1S/C19H18N6/c1-2-6-13-10-16(11-14(13)7-3-1)25-18-17(23-24-25)12-20-19(22-18)21-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,20,21,22)
InChIKeyLWBDXSLYTRHREP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.67
Rot. Bonds3

About 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine

3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine (PubChem CID 144695368) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
PubChem CID144695368
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
SMILESc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)cc-2cc1
InChIInChI=1S/C19H18N6/c1-2-6-13-10-16(11-14(13)7-3-1)25-18-17(23-24-25)12-20-19(22-18)21-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,20,21,22)
InChIKeyLWBDXSLYTRHREP-UHFFFAOYSA-N
XLogP3.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
CID 144695350
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094339
N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129094398
carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094403
carbamic acid;(2R)-3-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 129094426
2-[4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]pyrazol-1-yl]ethanol
CID 129094287
1-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-2-methylpropan-2-ol;formaldehyde
CID 144695452
trans-(1S,3S)-3-[[3-(4-pyrrolidin-1-ylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90390098

Frequently Asked Questions

What is the IUPAC name of 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine (CID 144695368) is 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine is c1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)cc-2cc1.
What is the InChIKey of 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is LWBDXSLYTRHREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-6-13-10-16(11-14(13)7-3-1)25-18-17(23-24-25)12-20-19(22-18)21-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,20,21,22).
What are the key properties of 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine?
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 330.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 144695368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).