N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine

C11H16N4 — CID 128902240

IUPACN-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CC3CC3C2)nc1C
InChIInChI=1S/C11H16N4/c1-6-7(2)14-15-11(12-6)13-10-4-8-3-9(8)5-10/h8-10H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyXWDPMDXPOOJWTP-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.70
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 128902240) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID128902240
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CC3CC3C2)nc1C
InChIInChI=1S/C11H16N4/c1-6-7(2)14-15-11(12-6)13-10-4-8-3-9(8)5-10/h8-10H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyXWDPMDXPOOJWTP-UHFFFAOYSA-N
XLogP1.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 128902240) is N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NC2CC3CC3C2)nc1C.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is XWDPMDXPOOJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-6-7(2)14-15-11(12-6)13-10-4-8-3-9(8)5-10/h8-10H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 204.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 128902240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).