[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine

C11H10ClN7 — CID 11780774

IUPAC[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine
SMILESNNc1ncnc2c1nnn2Cc1ccccc1Cl
InChIInChI=1S/C11H10ClN7/c12-8-4-2-1-3-7(8)5-19-11-9(17-18-19)10(16-13)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyUGBLJYGTVRZKLW-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.21
Rot. Bonds3

About [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine

[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine (PubChem CID 11780774) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine
PubChem CID11780774
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine
SMILESNNc1ncnc2c1nnn2Cc1ccccc1Cl
InChIInChI=1S/C11H10ClN7/c12-8-4-2-1-3-7(8)5-19-11-9(17-18-19)10(16-13)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyUGBLJYGTVRZKLW-UHFFFAOYSA-N
XLogP1.21
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-(1-phenylpropan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
CID 10571730
3-[(2-chlorophenyl)methyl]-N-(cyclohexylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 1447169
3-[(2-chlorophenyl)methyl]-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 19767721
3-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 43816100
3-benzyl-N-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 43816104
N'-[3-[(2-chloro-6-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]propane-1,3-diamine
CID 4638651
5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol
CID 3230927
3-[(2-fluorophenyl)methyl]-N-[(2S)-1-phenylpropan-2-yl]triazolo[4,5-d]pyrimidin-7-amine
CID 100991056
N-[(4-aminophenyl)methyl]-3-benzyltriazolo[4,5-d]pyrimidin-7-amine
CID 10758894
5-[(2-chlorophenyl)methyl]-3,4,5,7,9,11,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7-tetraen-10-one
CID 10828165
3-benzyl-N-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 3228212
N-benzyl-3-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 3224384

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine?
The IUPAC name of [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine (CID 11780774) is [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine is NNc1ncnc2c1nnn2Cc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine?
The InChIKey is UGBLJYGTVRZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c12-8-4-2-1-3-7(8)5-19-11-9(17-18-19)10(16-13)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16).
What are the key properties of [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine?
[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine has a molecular weight of 275.70 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 11780774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).