2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide

C12H16N6O2 — CID 114778690

IUPAC2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCOc1cccc(Cn2cc(CNC(=O)CN)nn2)n1
InChIInChI=1S/C12H16N6O2/c1-20-12-4-2-3-9(15-12)7-18-8-10(16-17-18)6-14-11(19)5-13/h2-4,8H,5-7,13H2,1H3,(H,14,19)
InChIKeyZQHAGTSZUBTXOH-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.70
Rot. Bonds6

About 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide

2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778690) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide
PubChem CID114778690
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCOc1cccc(Cn2cc(CNC(=O)CN)nn2)n1
InChIInChI=1S/C12H16N6O2/c1-20-12-4-2-3-9(15-12)7-18-8-10(16-17-18)6-14-11(19)5-13/h2-4,8H,5-7,13H2,1H3,(H,14,19)
InChIKeyZQHAGTSZUBTXOH-UHFFFAOYSA-N
XLogP-0.70
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543
2-[[4-(1-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 81449355

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide (CID 114778690) is 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide is COc1cccc(Cn2cc(CNC(=O)CN)nn2)n1.
What is the InChIKey of 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is ZQHAGTSZUBTXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-20-12-4-2-3-9(15-12)7-18-8-10(16-17-18)6-14-11(19)5-13/h2-4,8H,5-7,13H2,1H3,(H,14,19).
What are the key properties of 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 276.30 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).