6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine

C12H19N5 — CID 141091588

IUPAC6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC23CCC(CC2)C3)n1
InChIInChI=1S/C12H19N5/c13-10-15-9(16-11(14)17-10)3-6-12-4-1-8(7-12)2-5-12/h8H,1-7H2,(H4,13,14,15,16,17)
InChIKeyFZJRXKHTMHJGOF-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.55
Rot. Bonds3

About 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 141091588) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID141091588
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC23CCC(CC2)C3)n1
InChIInChI=1S/C12H19N5/c13-10-15-9(16-11(14)17-10)3-6-12-4-1-8(7-12)2-5-12/h8H,1-7H2,(H4,13,14,15,16,17)
InChIKeyFZJRXKHTMHJGOF-UHFFFAOYSA-N
XLogP1.55
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(4,6-Diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 15346036
6-(Cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 18366366
6-(2-Bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
CID 21705482
4,6-Dicyclopentyl-1,3,5-triazin-2-amine
CID 63867772
2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
CID 67592949
5-(4,6-Diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 67732280
6-(1-Bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
CID 67768063
6-(1-Methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 70372836
6-[(1-Methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 156220337
6-[(1-Methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 156220368
4-Cyclopentyl-6-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55251402
4-Cyclopentyl-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 63867160

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 141091588) is 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC23CCC(CC2)C3)n1.
What is the InChIKey of 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FZJRXKHTMHJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-10-15-9(16-11(14)17-10)3-6-12-4-1-8(7-12)2-5-12/h8H,1-7H2,(H4,13,14,15,16,17).
What are the key properties of 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141091588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).