ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole

C8H13N3 — CID 143209055

IUPACethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC.Cc1n[nH]c2cccn12
InChIInChI=1S/C6H7N3.C2H6/c1-5-7-8-6-3-2-4-9(5)6;1-2/h2-4,8H,1H3;1-2H3
InChIKeyHSBKZZXPMOTUGM-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.00
Rot. Bonds

About ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole

ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 143209055) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Nameethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID143209055
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nameethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC.Cc1n[nH]c2cccn12
InChIInChI=1S/C6H7N3.C2H6/c1-5-7-8-6-3-2-4-9(5)6;1-2/h2-4,8H,1H3;1-2H3
InChIKeyHSBKZZXPMOTUGM-UHFFFAOYSA-N
XLogP2.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1h-Pyrrolo [1,2-b]-sym-triazole
CID 21224061
Pyrrolo[1,2-d]tetrazole
CID 21226033
1h-Pyrrolo [2,1-c]-sym-triazole
CID 22016110
3-(Azol-1-yl)pyrazole
CID 53215354
1H-pyrrolo[2,1-e][1,2,4,3]triazaborole
CID 91553838
3,6-Dimethyl-1,2-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,5,7-triene
CID 10510906
3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-6,7-dicarbonitrile
CID 21200986
N-(1-methylpyrrol-2-yl)pyrazol-1-amine
CID 22105863
3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
CID 22976801
2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
CID 22976819
5-methyl-3-pyrrol-1-yl-1H-pyrazole
CID 53215353
5-(3-methylpyrrol-1-yl)-1H-pyrazole
CID 53631166

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole (CID 143209055) is ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole is CC.Cc1n[nH]c2cccn12.
What is the InChIKey of ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is HSBKZZXPMOTUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6/c1-5-7-8-6-3-2-4-9(5)6;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 151.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 143209055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).