phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate

C14H11N5O2 — CID 162663380

IUPACphenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)Oc1ccccc1
InChIInChI=1S/C14H11N5O2/c20-14(21-10-6-2-1-3-7-10)17-13-16-12(18-19-13)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20)
InChIKeyBZBCWWCAZDQFSC-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.48
Rot. Bonds3

About phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate

phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate (PubChem CID 162663380) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate
PubChem CID162663380
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Namephenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)Oc1ccccc1
InChIInChI=1S/C14H11N5O2/c20-14(21-10-6-2-1-3-7-10)17-13-16-12(18-19-13)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20)
InChIKeyBZBCWWCAZDQFSC-UHFFFAOYSA-N
XLogP2.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxy-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161723
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072887
Phenyl [6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl]carbamate
CID 153524531
2-methoxy-6-(1H-1,2,4-triazol-5-yl)pyridine
CID 72724826
2-[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918317
N-(4-Methoxyphenyl)-2-[5-(pyrazin-2-YL)-4H-1,2,4-triazol-3-YL]piperidine-1-carboxamide
CID 91903864
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 15957196
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-pyridine
CID 15957264
2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 15957323
2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)pyridine
CID 15957345
US10940139, Example 02555
CID 51081304

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate?
The IUPAC name of phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate (CID 162663380) is phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate is O=C(Nc1n[nH]c(-c2ccccn2)n1)Oc1ccccc1.
What is the InChIKey of phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate?
The InChIKey is BZBCWWCAZDQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-14(21-10-6-2-1-3-7-10)17-13-16-12(18-19-13)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20).
What are the key properties of phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate?
phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate has a molecular weight of 281.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate is sourced from PubChem (CID 162663380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).