[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine

C8H11N7 — CID 80655682

IUPAC[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(Cn2cncn2)n1
InChIInChI=1S/C8H11N7/c1-6-2-7(14-9)13-8(12-6)3-15-5-10-4-11-15/h2,4-5H,3,9H2,1H3,(H,12,13,14)
InChIKeyPBMNGVXQROLMGA-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.29
Rot. Bonds3

About [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine

[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine (PubChem CID 80655682) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
PubChem CID80655682
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(Cn2cncn2)n1
InChIInChI=1S/C8H11N7/c1-6-2-7(14-9)13-8(12-6)3-15-5-10-4-11-15/h2,4-5H,3,9H2,1H3,(H,12,13,14)
InChIKeyPBMNGVXQROLMGA-UHFFFAOYSA-N
XLogP-0.29
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.29
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 [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine (CID 80655682) is [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(Cn2cncn2)n1.
What is the InChIKey of [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is PBMNGVXQROLMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-6-2-7(14-9)13-8(12-6)3-15-5-10-4-11-15/h2,4-5H,3,9H2,1H3,(H,12,13,14).
What are the key properties of [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine?
[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 205.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80655682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).