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

C13H14N6 — CID 132578411

IUPAC4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyLOHDDGKYDGJSDH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.93
Rot. Bonds3

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

4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 132578411) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID132578411
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyLOHDDGKYDGJSDH-UHFFFAOYSA-N
XLogP1.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
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4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
4-(2-(1H-Imidazol-4-YL)ethylamino)-2-(phenylamino)pyrazolo(1,5-A)(1,3,5)triazine-8-carbonitrile
CID 24779678
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
Incb 18424
CID 50878566

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 132578411) is 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12.
What is the InChIKey of 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LOHDDGKYDGJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 254.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 132578411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).