pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate

C15H14N6O2 — CID 121198078

IUPACpyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
SMILESO=C(NCc1cn(-c2cccnc2)nn1)OCc1ccccn1
InChIInChI=1S/C15H14N6O2/c22-15(23-11-12-4-1-2-7-17-12)18-8-13-10-21(20-19-13)14-5-3-6-16-9-14/h1-7,9-10H,8,11H2,(H,18,22)
InChIKeyCEVFMHHRZXDGST-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.48
Rot. Bonds5

About pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate

pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate (PubChem CID 121198078) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
PubChem CID121198078
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Namepyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
SMILESO=C(NCc1cn(-c2cccnc2)nn1)OCc1ccccn1
InChIInChI=1S/C15H14N6O2/c22-15(23-11-12-4-1-2-7-17-12)18-8-13-10-21(20-19-13)14-5-3-6-16-9-14/h1-7,9-10H,8,11H2,(H,18,22)
InChIKeyCEVFMHHRZXDGST-UHFFFAOYSA-N
XLogP1.48
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
CID 121197954
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
2-pyridin-3-yl-N-(pyridin-2-ylmethyl)indazole-5-carboxamide
CID 167431659
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate (CID 121198078) is pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate is O=C(NCc1cn(-c2cccnc2)nn1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate?
The InChIKey is CEVFMHHRZXDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-15(23-11-12-4-1-2-7-17-12)18-8-13-10-21(20-19-13)14-5-3-6-16-9-14/h1-7,9-10H,8,11H2,(H,18,22).
What are the key properties of pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate?
pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate has a molecular weight of 310.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate is sourced from PubChem (CID 121198078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).