[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine

C11H15N7 — CID 80969657

IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H15N7/c1-6-13-7(2)18(17-6)10-5-9(16-12)14-11(15-10)8-3-4-8/h5,8H,3-4,12H2,1-2H3,(H,14,15,16)
InChIKeyGUZGNMFMVUQGFW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.84
Rot. Bonds3

About [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80969657) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80969657
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H15N7/c1-6-13-7(2)18(17-6)10-5-9(16-12)14-11(15-10)8-3-4-8/h5,8H,3-4,12H2,1-2H3,(H,14,15,16)
InChIKeyGUZGNMFMVUQGFW-UHFFFAOYSA-N
XLogP0.84
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.84
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

4-chloro-2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
CID 80950872
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
(2-cyclopropyl-6-indazol-1-ylpyrimidin-4-yl)hydrazine
CID 80968413
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
CID 80968717
4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
CID 80968597
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine (CID 80969657) is [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine is Cc1nc(C)n(-c2cc(NN)nc(C3CC3)n2)n1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is GUZGNMFMVUQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-6-13-7(2)18(17-6)10-5-9(16-12)14-11(15-10)8-3-4-8/h5,8H,3-4,12H2,1-2H3,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 245.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).