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

C8H12N4O2 — CID 69335576

IUPACbutyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C8H12N4O2/c1-2-3-4-12(8(13)14)7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyOSEPMSNKSZINCA-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.16
Rot. Bonds4

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

butyl(1,3,5-triazin-2-yl)carbamic acid (PubChem CID 69335576) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is butyl(1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Namebutyl(1,3,5-triazin-2-yl)carbamic acid
PubChem CID69335576
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namebutyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C8H12N4O2/c1-2-3-4-12(8(13)14)7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyOSEPMSNKSZINCA-UHFFFAOYSA-N
XLogP1.16
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl(1,3,5-triazin-2-yl)carbamic acid
CID 69334189
methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate
CID 69335036
Pentyl(1,3,5-triazin-2-yl)carbamic acid
CID 70438958
Cyclopentyl(1,3,5-triazin-2-yl)carbamic acid
CID 175398646

Frequently Asked Questions

What is the IUPAC name of butyl(1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of butyl(1,3,5-triazin-2-yl)carbamic acid (CID 69335576) is butyl(1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for butyl(1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for butyl(1,3,5-triazin-2-yl)carbamic acid is CCCCN(C(=O)O)c1ncncn1.
What is the InChIKey of butyl(1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is OSEPMSNKSZINCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-4-12(8(13)14)7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of butyl(1,3,5-triazin-2-yl)carbamic acid?
butyl(1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 196.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 69335576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).