3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole

C8H11N3 — CID 20650412

IUPAC3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1=C(C)c2nnc(C)n2C1
InChIInChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4H2,1-3H3
InChIKeyIDRNYJXZXVNTBN-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.39
Rot. Bonds

About 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole

3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 20650412) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID20650412
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1=C(C)c2nnc(C)n2C1
InChIInChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4H2,1-3H3
InChIKeyIDRNYJXZXVNTBN-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 163390480
3-Prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 143706140
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole-6,7-dicarbonitrile
CID 17885966
2,6,7-trimethyl-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 20650442
3-Tert-butyl-4,5-dimethyl-1,2,4-triazole
CID 22950938
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole
CID 59825848
3-Ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 89030537
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 20650412) is 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole is CC1=C(C)c2nnc(C)n2C1.
What is the InChIKey of 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is IDRNYJXZXVNTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-4-11-7(3)9-10-8(11)6(5)2/h4H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 20650412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).