3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine

C9H11N7 — CID 103293740

IUPAC3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CC2)nn1-c1cccnn1
InChIInChI=1S/C9H11N7/c10-8-13-9(12-6-3-4-6)15-16(8)7-2-1-5-11-14-7/h1-2,5-6H,3-4H2,(H3,10,12,13,15)
InChIKeyOKURPZGGXJZAHO-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.21
Rot. Bonds3

About 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine

3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine (PubChem CID 103293740) has the molecular formula C9H11N7 and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine
PubChem CID103293740
Molecular FormulaC9H11N7
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CC2)nn1-c1cccnn1
InChIInChI=1S/C9H11N7/c10-8-13-9(12-6-3-4-6)15-16(8)7-2-1-5-11-14-7/h1-2,5-6H,3-4H2,(H3,10,12,13,15)
InChIKeyOKURPZGGXJZAHO-UHFFFAOYSA-N
XLogP0.21
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-anilinopyrimidin-4-yl)-3-N-cyclohexyl-1,2,4-triazole-3,5-diamine
CID 58976376
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
N-cyclopentylpyridazin-3-amine
CID 62482227
N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 103294527
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
CID 91623873
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106898376
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine (CID 103293740) is 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine is Nc1nc(NC2CC2)nn1-c1cccnn1.
What is the InChIKey of 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is OKURPZGGXJZAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7/c10-8-13-9(12-6-3-4-6)15-16(8)7-2-1-5-11-14-7/h1-2,5-6H,3-4H2,(H3,10,12,13,15).
What are the key properties of 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine?
3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 217.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 103293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).