triazin-4-yl carbamate

C4H4N4O2 — CID 19957948

IUPACtriazin-4-yl carbamate
SMILESNC(=O)Oc1ccnnn1
InChIInChI=1S/C4H4N4O2/c5-4(9)10-3-1-2-6-8-7-3/h1-2H,(H2,5,9)
InChIKeyYSRNNNUOTGPDFU-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.67
Rot. Bonds1

About triazin-4-yl carbamate

triazin-4-yl carbamate (PubChem CID 19957948) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is triazin-4-yl carbamate.

Molecular Properties

Compound Nametriazin-4-yl carbamate
PubChem CID19957948
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Nametriazin-4-yl carbamate
SMILESNC(=O)Oc1ccnnn1
InChIInChI=1S/C4H4N4O2/c5-4(9)10-3-1-2-6-8-7-3/h1-2H,(H2,5,9)
InChIKeyYSRNNNUOTGPDFU-UHFFFAOYSA-N
XLogP-0.67
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazin-4-yl carbamate?
The IUPAC name of triazin-4-yl carbamate (CID 19957948) is triazin-4-yl carbamate.
What is the SMILES notation for triazin-4-yl carbamate?
The canonical SMILES for triazin-4-yl carbamate is NC(=O)Oc1ccnnn1.
What is the InChIKey of triazin-4-yl carbamate?
The InChIKey is YSRNNNUOTGPDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c5-4(9)10-3-1-2-6-8-7-3/h1-2H,(H2,5,9).
What are the key properties of triazin-4-yl carbamate?
triazin-4-yl carbamate has a molecular weight of 140.10 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-4-yl carbamate is sourced from PubChem (CID 19957948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).