3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine

C6H12N6 — CID 136655342

IUPAC3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine
SMILESCCC1NNc2c(N)c(N)nn21
InChIInChI=1S/C6H12N6/c1-2-3-9-10-6-4(7)5(8)11-12(3)6/h3,9-10H,2,7H2,1H3,(H2,8,11)
InChIKeyYJQJHTVGPCKTJA-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.11
Rot. Bonds1

About 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine

3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine (PubChem CID 136655342) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine.

Molecular Properties

Compound Name3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine
PubChem CID136655342
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine
SMILESCCC1NNc2c(N)c(N)nn21
InChIInChI=1S/C6H12N6/c1-2-3-9-10-6-4(7)5(8)11-12(3)6/h3,9-10H,2,7H2,1H3,(H2,8,11)
InChIKeyYJQJHTVGPCKTJA-UHFFFAOYSA-N
XLogP-0.11
TPSA93.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine?
The IUPAC name of 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine (CID 136655342) is 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine.
What is the SMILES notation for 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine?
The canonical SMILES for 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine is CCC1NNc2c(N)c(N)nn21.
What is the InChIKey of 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine?
The InChIKey is YJQJHTVGPCKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-2-3-9-10-6-4(7)5(8)11-12(3)6/h3,9-10H,2,7H2,1H3,(H2,8,11).
What are the key properties of 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine?
3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine has a molecular weight of 168.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6,7-diamine is sourced from PubChem (CID 136655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).