cyclohexyl-(4,6-diaminotriazin-5-yl)methanone

C10H15N5O — CID 141052840

IUPACcyclohexyl-(4,6-diaminotriazin-5-yl)methanone
SMILESNc1nnnc(N)c1C(=O)C1CCCCC1
InChIInChI=1S/C10H15N5O/c11-9-7(10(12)14-15-13-9)8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14)
InChIKeyLTBFQQHNUHQJTC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds2

About cyclohexyl-(4,6-diaminotriazin-5-yl)methanone

cyclohexyl-(4,6-diaminotriazin-5-yl)methanone (PubChem CID 141052840) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is cyclohexyl-(4,6-diaminotriazin-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4,6-diaminotriazin-5-yl)methanone
PubChem CID141052840
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Namecyclohexyl-(4,6-diaminotriazin-5-yl)methanone
SMILESNc1nnnc(N)c1C(=O)C1CCCCC1
InChIInChI=1S/C10H15N5O/c11-9-7(10(12)14-15-13-9)8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14)
InChIKeyLTBFQQHNUHQJTC-UHFFFAOYSA-N
XLogP0.80
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4,6-diaminotriazin-5-yl)methanone?
The IUPAC name of cyclohexyl-(4,6-diaminotriazin-5-yl)methanone (CID 141052840) is cyclohexyl-(4,6-diaminotriazin-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(4,6-diaminotriazin-5-yl)methanone?
The canonical SMILES for cyclohexyl-(4,6-diaminotriazin-5-yl)methanone is Nc1nnnc(N)c1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4,6-diaminotriazin-5-yl)methanone?
The InChIKey is LTBFQQHNUHQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9-7(10(12)14-15-13-9)8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14).
What are the key properties of cyclohexyl-(4,6-diaminotriazin-5-yl)methanone?
cyclohexyl-(4,6-diaminotriazin-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4,6-diaminotriazin-5-yl)methanone is sourced from PubChem (CID 141052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).