tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate

C15H18N6O2 — CID 156699490

IUPACtert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
SMILESCn1nccc1-c1nc2ccc(NC(=O)OC(C)(C)C)cn2n1
InChIInChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)17-10-5-6-12-18-13(19-21(12)9-10)11-7-8-16-20(11)4/h5-9H,1-4H3,(H,17,22)
InChIKeyHYPUGRVETLZTMS-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate

tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate (PubChem CID 156699490) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
PubChem CID156699490
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Nametert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
SMILESCn1nccc1-c1nc2ccc(NC(=O)OC(C)(C)C)cn2n1
InChIInChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)17-10-5-6-12-18-13(19-21(12)9-10)11-7-8-16-20(11)4/h5-9H,1-4H3,(H,17,22)
InChIKeyHYPUGRVETLZTMS-UHFFFAOYSA-N
XLogP2.48
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 155547970
tert-butyl N-[3-(2-methyltriazol-4-yl)phenyl]carbamate
CID 166844908
tert-butyl 2-methylpyrazole-3-carboxylate
CID 63896646
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate
CID 156699470
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
CID 170596502
tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate (CID 156699490) is tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate is Cn1nccc1-c1nc2ccc(NC(=O)OC(C)(C)C)cn2n1.
What is the InChIKey of tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate?
The InChIKey is HYPUGRVETLZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)17-10-5-6-12-18-13(19-21(12)9-10)11-7-8-16-20(11)4/h5-9H,1-4H3,(H,17,22).
What are the key properties of tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate?
tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate has a molecular weight of 314.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate is sourced from PubChem (CID 156699490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).