7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C12H21N7 — CID 94672114

IUPAC7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(NCCC(C)C)nn2c(NN)c1C
InChIInChI=1S/C12H21N7/c1-7(2)5-6-14-11-16-12-15-9(4)8(3)10(17-13)19(12)18-11/h7,17H,5-6,13H2,1-4H3,(H,14,18)
InChIKeyQTVHBEALJLQPRS-UHFFFAOYSA-N
MW263.35 g/mol
LogP1.48
Rot. Bonds5

About 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 94672114) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID94672114
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(NCCC(C)C)nn2c(NN)c1C
InChIInChI=1S/C12H21N7/c1-7(2)5-6-14-11-16-12-15-9(4)8(3)10(17-13)19(12)18-11/h7,17H,5-6,13H2,1-4H3,(H,14,18)
InChIKeyQTVHBEALJLQPRS-UHFFFAOYSA-N
XLogP1.48
TPSA93.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
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 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 94672114) is 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1nc2nc(NCCC(C)C)nn2c(NN)c1C.
What is the InChIKey of 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is QTVHBEALJLQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-7(2)5-6-14-11-16-12-15-9(4)8(3)10(17-13)19(12)18-11/h7,17H,5-6,13H2,1-4H3,(H,14,18).
What are the key properties of 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 263.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 94672114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).