3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine

C14H13N5 — CID 143261620

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccc4c(c3)CCC4)c2n1
InChIInChI=1S/C14H13N5/c1-9-15-8-13-14(16-9)19(18-17-13)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3
InChIKeyJYWGIIWWIABFMW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.01
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine

3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine (PubChem CID 143261620) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
PubChem CID143261620
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccc4c(c3)CCC4)c2n1
InChIInChI=1S/C14H13N5/c1-9-15-8-13-14(16-9)19(18-17-13)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3
InChIKeyJYWGIIWWIABFMW-UHFFFAOYSA-N
XLogP2.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine (CID 143261620) is 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine is Cc1ncc2nnn(-c3ccc4c(c3)CCC4)c2n1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine?
The InChIKey is JYWGIIWWIABFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-15-8-13-14(16-9)19(18-17-13)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine?
3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine has a molecular weight of 251.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 143261620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).