N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine

C18H19N7 — CID 129108828

IUPACN-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1cc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2[nH]1
InChIInChI=1S/C18H19N7/c1-11-8-12-9-14(6-7-15(12)20-11)25-17-16(23-24-25)10-19-18(22-17)21-13-4-2-3-5-13/h6-10,13,20H,2-5H2,1H3,(H,19,21,22)
InChIKeyLJFSCDAMJCQZJF-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.35
Rot. Bonds3

About N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine

N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129108828) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID129108828
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1cc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2[nH]1
InChIInChI=1S/C18H19N7/c1-11-8-12-9-14(6-7-15(12)20-11)25-17-16(23-24-25)10-19-18(22-17)21-13-4-2-3-5-13/h6-10,13,20H,2-5H2,1H3,(H,19,21,22)
InChIKeyLJFSCDAMJCQZJF-UHFFFAOYSA-N
XLogP3.35
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 129108828) is N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine is Cc1cc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2[nH]1.
What is the InChIKey of N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is LJFSCDAMJCQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-11-8-12-9-14(6-7-15(12)20-11)25-17-16(23-24-25)10-19-18(22-17)21-13-4-2-3-5-13/h6-10,13,20H,2-5H2,1H3,(H,19,21,22).
What are the key properties of N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 333.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129108828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).