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

C8H11N7 — CID 80900358

IUPAC[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(C)n(-c2ccnc(NN)n2)n1
InChIInChI=1S/C8H11N7/c1-5-11-6(2)15(14-5)7-3-4-10-8(12-7)13-9/h3-4H,9H2,1-2H3,(H,10,12,13)
InChIKeyZNQMTSDGKLULBP-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.04
Rot. Bonds2

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

[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80900358) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80900358
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(C)n(-c2ccnc(NN)n2)n1
InChIInChI=1S/C8H11N7/c1-5-11-6(2)15(14-5)7-3-4-10-8(12-7)13-9/h3-4H,9H2,1-2H3,(H,10,12,13)
InChIKeyZNQMTSDGKLULBP-UHFFFAOYSA-N
XLogP-0.04
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.04
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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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine (CID 80900358) is [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine is Cc1nc(C)n(-c2ccnc(NN)n2)n1.
What is the InChIKey of [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZNQMTSDGKLULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-5-11-6(2)15(14-5)7-3-4-10-8(12-7)13-9/h3-4H,9H2,1-2H3,(H,10,12,13).
What are the key properties of [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 205.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80900358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).