4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C15H18N6 — CID 142744352

IUPAC4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CCCC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C15H18N6/c1-10-13(14-12-6-7-16-15(12)18-9-17-14)20-21(19-10)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,17,18)
InChIKeyAMQAEOAHHYUBRJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.72
Rot. Bonds3

About 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142744352) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142744352
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CCCC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C15H18N6/c1-10-13(14-12-6-7-16-15(12)18-9-17-14)20-21(19-10)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,17,18)
InChIKeyAMQAEOAHHYUBRJ-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 142744352) is 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1nn(CC2CCCC2)nc1-c1ncnc2[nH]ccc12.
What is the InChIKey of 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AMQAEOAHHYUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-10-13(14-12-6-7-16-15(12)18-9-17-14)20-21(19-10)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,17,18).
What are the key properties of 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 282.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142744352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).