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

C9H12N4O2 — CID 175398646

IUPACcyclopentyl(1,3,5-triazin-2-yl)carbamic acid
SMILESO=C(O)N(c1ncncn1)C1CCCC1
InChIInChI=1S/C9H12N4O2/c14-9(15)13(7-3-1-2-4-7)8-11-5-10-6-12-8/h5-7H,1-4H2,(H,14,15)
InChIKeyAHVGLLDOMVWVNU-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.30
Rot. Bonds2

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

cyclopentyl(1,3,5-triazin-2-yl)carbamic acid (PubChem CID 175398646) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is cyclopentyl(1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Namecyclopentyl(1,3,5-triazin-2-yl)carbamic acid
PubChem CID175398646
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Namecyclopentyl(1,3,5-triazin-2-yl)carbamic acid
SMILESO=C(O)N(c1ncncn1)C1CCCC1
InChIInChI=1S/C9H12N4O2/c14-9(15)13(7-3-1-2-4-7)8-11-5-10-6-12-8/h5-7H,1-4H2,(H,14,15)
InChIKeyAHVGLLDOMVWVNU-UHFFFAOYSA-N
XLogP1.30
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of cyclopentyl(1,3,5-triazin-2-yl)carbamic acid (CID 175398646) is cyclopentyl(1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for cyclopentyl(1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for cyclopentyl(1,3,5-triazin-2-yl)carbamic acid is O=C(O)N(c1ncncn1)C1CCCC1.
What is the InChIKey of cyclopentyl(1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is AHVGLLDOMVWVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-9(15)13(7-3-1-2-4-7)8-11-5-10-6-12-8/h5-7H,1-4H2,(H,14,15).
What are the key properties of cyclopentyl(1,3,5-triazin-2-yl)carbamic acid?
cyclopentyl(1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 208.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 175398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).