pentanoic acid;1,3,5-triazine-2,4,6-triamine

C8H16N6O2 — CID 67865076

IUPACpentanoic acid;1,3,5-triazine-2,4,6-triamine
SMILESCCCCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O2.C3H6N6/c1-2-3-4-5(6)7;4-1-7-2(5)9-3(6)8-1/h2-4H2,1H3,(H,6,7);(H6,4,5,6,7,8,9)
InChIKeyBCXMDMWPRHFDHZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.12
Rot. Bonds3

About pentanoic acid;1,3,5-triazine-2,4,6-triamine

pentanoic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 67865076) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is pentanoic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepentanoic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID67865076
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Namepentanoic acid;1,3,5-triazine-2,4,6-triamine
SMILESCCCCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O2.C3H6N6/c1-2-3-4-5(6)7;4-1-7-2(5)9-3(6)8-1/h2-4H2,1H3,(H,6,7);(H6,4,5,6,7,8,9)
InChIKeyBCXMDMWPRHFDHZ-UHFFFAOYSA-N
XLogP-0.12
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pentanoic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of pentanoic acid;1,3,5-triazine-2,4,6-triamine (CID 67865076) is pentanoic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for pentanoic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for pentanoic acid;1,3,5-triazine-2,4,6-triamine is CCCCC(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of pentanoic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is BCXMDMWPRHFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H6N6/c1-2-3-4-5(6)7;4-1-7-2(5)9-3(6)8-1/h2-4H2,1H3,(H,6,7);(H6,4,5,6,7,8,9).
What are the key properties of pentanoic acid;1,3,5-triazine-2,4,6-triamine?
pentanoic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67865076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).