azane;1,3,5-triazin-2-yl carbamate

C4H7N5O2 — CID 141190717

IUPACazane;1,3,5-triazin-2-yl carbamate
SMILESN.NC(=O)Oc1ncncn1
InChIInChI=1S/C4H4N4O2.H3N/c5-3(9)10-4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H3
InChIKeyMHZWJNNHLQSQFC-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.51
Rot. Bonds1

About azane;1,3,5-triazin-2-yl carbamate

azane;1,3,5-triazin-2-yl carbamate (PubChem CID 141190717) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is azane;1,3,5-triazin-2-yl carbamate.

Molecular Properties

Compound Nameazane;1,3,5-triazin-2-yl carbamate
PubChem CID141190717
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Nameazane;1,3,5-triazin-2-yl carbamate
SMILESN.NC(=O)Oc1ncncn1
InChIInChI=1S/C4H4N4O2.H3N/c5-3(9)10-4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H3
InChIKeyMHZWJNNHLQSQFC-UHFFFAOYSA-N
XLogP-0.51
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ureido-s-triazine
CID 19917709
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
1,3,5-Triazin-2-ylcarbamic acid
CID 20077889
Methyl carbamate;1,3,5-triazine
CID 21253744
Carbamic acid;1,3,5-triazine
CID 22075585
Carbamic acid;1,3,5-triazine
CID 23297040
(4-Methoxy-1,3,5-triazin-2-yl)urea
CID 23310879
1,3,5-Triazin-2-yl carbamate
CID 53641296
1,3,5-triazin-2-yl N-methylcarbamate
CID 54003672
1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate
CID 57061210
1,3,5-Triazine;urea
CID 67443877
6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione
CID 68634360

Frequently Asked Questions

What is the IUPAC name of azane;1,3,5-triazin-2-yl carbamate?
The IUPAC name of azane;1,3,5-triazin-2-yl carbamate (CID 141190717) is azane;1,3,5-triazin-2-yl carbamate.
What is the SMILES notation for azane;1,3,5-triazin-2-yl carbamate?
The canonical SMILES for azane;1,3,5-triazin-2-yl carbamate is N.NC(=O)Oc1ncncn1.
What is the InChIKey of azane;1,3,5-triazin-2-yl carbamate?
The InChIKey is MHZWJNNHLQSQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2.H3N/c5-3(9)10-4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H3.
What are the key properties of azane;1,3,5-triazin-2-yl carbamate?
azane;1,3,5-triazin-2-yl carbamate has a molecular weight of 157.13 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3,5-triazin-2-yl carbamate is sourced from PubChem (CID 141190717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).