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

C14H16N6 — CID 142744329

IUPAC4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CCC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C14H16N6/c1-9-12(19-20(18-9)7-10-3-2-4-10)13-11-5-6-15-14(11)17-8-16-13/h5-6,8,10H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyRGXVBQLCSJDAAC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.32
Rot. Bonds3

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

4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142744329) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142744329
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CCC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C14H16N6/c1-9-12(19-20(18-9)7-10-3-2-4-10)13-11-5-6-15-14(11)17-8-16-13/h5-6,8,10H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyRGXVBQLCSJDAAC-UHFFFAOYSA-N
XLogP2.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 142744329) is 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1nn(CC2CCC2)nc1-c1ncnc2[nH]ccc12.
What is the InChIKey of 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RGXVBQLCSJDAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-12(19-20(18-9)7-10-3-2-4-10)13-11-5-6-15-14(11)17-8-16-13/h5-6,8,10H,2-4,7H2,1H3,(H,15,16,17).
What are the key properties of 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142744329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).