4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine

C7H13ClN6 — CID 178081936

IUPAC4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine
SMILESCC(C)(C)NNc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H13ClN6/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h14H,1-3H3,(H3,9,10,11,12,13)
InChIKeyFAVHOENVPKHXTB-UHFFFAOYSA-N
MW216.68 g/mol
LogP0.82
Rot. Bonds2

About 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine

4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine (PubChem CID 178081936) has the molecular formula C7H13ClN6 and a molecular weight of 216.68 g/mol. Its IUPAC name is 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine
PubChem CID178081936
Molecular FormulaC7H13ClN6
Molecular Weight216.68 g/mol
Exact Mass216.09
IUPAC Name4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine
SMILESCC(C)(C)NNc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H13ClN6/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h14H,1-3H3,(H3,9,10,11,12,13)
InChIKeyFAVHOENVPKHXTB-UHFFFAOYSA-N
XLogP0.82
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine (CID 178081936) is 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine is CC(C)(C)NNc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is FAVHOENVPKHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN6/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h14H,1-3H3,(H3,9,10,11,12,13).
What are the key properties of 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine?
4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 216.68 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylhydrazinyl)-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 178081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).