N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H19N9 — CID 80906636

IUPACN-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(NN)nc(-n2cncn2)n1)C1CCCC1
InChIInChI=1S/C12H19N9/c1-8(9-4-2-3-5-9)16-10-17-11(20-13)19-12(18-10)21-7-14-6-15-21/h6-9H,2-5,13H2,1H3,(H2,16,17,18,19,20)
InChIKeyAQJVITYEKVUOSY-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.73
Rot. Bonds5

About N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80906636) has the molecular formula C12H19N9 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80906636
Molecular FormulaC12H19N9
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC NameN-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(NN)nc(-n2cncn2)n1)C1CCCC1
InChIInChI=1S/C12H19N9/c1-8(9-4-2-3-5-9)16-10-17-11(20-13)19-12(18-10)21-7-14-6-15-21/h6-9H,2-5,13H2,1H3,(H2,16,17,18,19,20)
InChIKeyAQJVITYEKVUOSY-UHFFFAOYSA-N
XLogP0.73
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80906636) is N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CC(Nc1nc(NN)nc(-n2cncn2)n1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AQJVITYEKVUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N9/c1-8(9-4-2-3-5-9)16-10-17-11(20-13)19-12(18-10)21-7-14-6-15-21/h6-9H,2-5,13H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 289.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80906636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).