pentyl(1,3,5-triazin-2-yl)carbamic acid

C9H14N4O2 — CID 70438958

IUPACpentyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCCCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C9H14N4O2/c1-2-3-4-5-13(9(14)15)8-11-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyHUHORCGAZXNRDM-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.55
Rot. Bonds5

About pentyl(1,3,5-triazin-2-yl)carbamic acid

pentyl(1,3,5-triazin-2-yl)carbamic acid (PubChem CID 70438958) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is pentyl(1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Namepentyl(1,3,5-triazin-2-yl)carbamic acid
PubChem CID70438958
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namepentyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCCCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C9H14N4O2/c1-2-3-4-5-13(9(14)15)8-11-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyHUHORCGAZXNRDM-UHFFFAOYSA-N
XLogP1.55
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl(1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of pentyl(1,3,5-triazin-2-yl)carbamic acid (CID 70438958) is pentyl(1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for pentyl(1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for pentyl(1,3,5-triazin-2-yl)carbamic acid is CCCCCN(C(=O)O)c1ncncn1.
What is the InChIKey of pentyl(1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is HUHORCGAZXNRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-4-5-13(9(14)15)8-11-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of pentyl(1,3,5-triazin-2-yl)carbamic acid?
pentyl(1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 210.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl(1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 70438958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).