phenyl N-(1H-1,2,4-triazol-5-yl)carbamate

C9H8N4O2 — CID 19171442

IUPACphenyl N-(1H-1,2,4-triazol-5-yl)carbamate
SMILESO=C(Nc1ncn[nH]1)Oc1ccccc1
InChIInChI=1S/C9H8N4O2/c14-9(12-8-10-6-11-13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,10,11,12,13,14)
InChIKeyHHLNFOSRCRKXJN-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.42
Rot. Bonds2

About phenyl N-(1H-1,2,4-triazol-5-yl)carbamate

phenyl N-(1H-1,2,4-triazol-5-yl)carbamate (PubChem CID 19171442) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is phenyl N-(1H-1,2,4-triazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1H-1,2,4-triazol-5-yl)carbamate
PubChem CID19171442
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Namephenyl N-(1H-1,2,4-triazol-5-yl)carbamate
SMILESO=C(Nc1ncn[nH]1)Oc1ccccc1
InChIInChI=1S/C9H8N4O2/c14-9(12-8-10-6-11-13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,10,11,12,13,14)
InChIKeyHHLNFOSRCRKXJN-UHFFFAOYSA-N
XLogP1.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The IUPAC name of phenyl N-(1H-1,2,4-triazol-5-yl)carbamate (CID 19171442) is phenyl N-(1H-1,2,4-triazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(1H-1,2,4-triazol-5-yl)carbamate is O=C(Nc1ncn[nH]1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The InChIKey is HHLNFOSRCRKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(12-8-10-6-11-13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,10,11,12,13,14).
What are the key properties of phenyl N-(1H-1,2,4-triazol-5-yl)carbamate?
phenyl N-(1H-1,2,4-triazol-5-yl)carbamate has a molecular weight of 204.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1H-1,2,4-triazol-5-yl)carbamate is sourced from PubChem (CID 19171442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).