6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

C9H15N5 — CID 112681544

IUPAC6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(c2nc(N)nc(N)n2)CCCC1
InChIInChI=1S/C9H15N5/c1-9(4-2-3-5-9)6-12-7(10)14-8(11)13-6/h2-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyVAEVOHAZJWUQBJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.87
Rot. Bonds1

About 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681544) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681544
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(c2nc(N)nc(N)n2)CCCC1
InChIInChI=1S/C9H15N5/c1-9(4-2-3-5-9)6-12-7(10)14-8(11)13-6/h2-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyVAEVOHAZJWUQBJ-UHFFFAOYSA-N
XLogP0.87
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 112681544) is 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CC1(c2nc(N)nc(N)n2)CCCC1.
What is the InChIKey of 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VAEVOHAZJWUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-9(4-2-3-5-9)6-12-7(10)14-8(11)13-6/h2-5H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).