methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate

C10H11N5O2 — CID 168835649

IUPACmethyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cn(C)nn2)nc1
InChIInChI=1S/C10H11N5O2/c1-15-6-9(13-14-15)8-4-3-7(5-11-8)12-10(16)17-2/h3-6H,1-2H3,(H,12,16)
InChIKeyLDVKPLNBGHKBIT-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.06
Rot. Bonds2

About methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate

methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate (PubChem CID 168835649) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate
PubChem CID168835649
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namemethyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cn(C)nn2)nc1
InChIInChI=1S/C10H11N5O2/c1-15-6-9(13-14-15)8-4-3-7(5-11-8)12-10(16)17-2/h3-6H,1-2H3,(H,12,16)
InChIKeyLDVKPLNBGHKBIT-UHFFFAOYSA-N
XLogP1.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1-methyltriazol-4-yl)-3-pyridinyl]methanol
CID 135309297
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130598615
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate
CID 175520173
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
methyl N-quinolin-3-ylcarbamate
CID 19697860
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590656
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate (CID 168835649) is methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2cn(C)nn2)nc1.
What is the InChIKey of methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate?
The InChIKey is LDVKPLNBGHKBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-6-9(13-14-15)8-4-3-7(5-11-8)12-10(16)17-2/h3-6H,1-2H3,(H,12,16).
What are the key properties of methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate?
methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate has a molecular weight of 233.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 168835649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).