2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine

C9H10N4 — CID 170388279

IUPAC2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3
InChIKeyVRFLPAQGDBCCGC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.48
Rot. Bonds1

About 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine

2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine (PubChem CID 170388279) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
PubChem CID170388279
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3
InChIKeyVRFLPAQGDBCCGC-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine (CID 170388279) is 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine is Cc1nc(C)nc(-c2ccc[nH]2)n1.
What is the InChIKey of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The InChIKey is VRFLPAQGDBCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine has a molecular weight of 174.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170388279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).