tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate

C13H17N5O2 — CID 166103677

IUPACtert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2nccn2)cn1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)15-8-10-4-5-11(9-14-10)18-16-6-7-17-18/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyRHRSXVDXJWOBHA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.69
Rot. Bonds3

About tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate (PubChem CID 166103677) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
PubChem CID166103677
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nametert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2nccn2)cn1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)15-8-10-4-5-11(9-14-10)18-16-6-7-17-18/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyRHRSXVDXJWOBHA-UHFFFAOYSA-N
XLogP1.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[4-(triazol-2-yl)anilino]propyl]carbamate
CID 103821842
tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate
CID 169137281
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]borinic acid
CID 67514399
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
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tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
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tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]carbamate
CID 178054648
tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate
CID 170269703
2-[[5-hydroxy-6-methyl-2-[[1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]phenyl]piperidin-4-yl]methyl]pyrimidine-4-carbonyl]amino]acetic acid
CID 71767881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate (CID 166103677) is tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-n2nccn2)cn1.
What is the InChIKey of tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate?
The InChIKey is RHRSXVDXJWOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)15-8-10-4-5-11(9-14-10)18-16-6-7-17-18/h4-7,9H,8H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 166103677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).