3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole

C8H11N3 — CID 22976801

IUPAC3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cn2c(C)n[nH]c2c1C
InChIInChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4,10H,1-3H3
InChIKeyZOINCULXNGSDAN-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.59
Rot. Bonds

About 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole

3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 22976801) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID22976801
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cn2c(C)n[nH]c2c1C
InChIInChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4,10H,1-3H3
InChIKeyZOINCULXNGSDAN-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole (CID 22976801) is 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole is Cc1cn2c(C)n[nH]c2c1C.
What is the InChIKey of 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZOINCULXNGSDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4,10H,1-3H3.
What are the key properties of 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 22976801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).