N-methoxy-1-(2-methyltriazol-4-yl)methanamine

C5H10N4O — CID 130588226

IUPACN-methoxy-1-(2-methyltriazol-4-yl)methanamine
SMILESCONCc1cnn(C)n1
InChIInChI=1S/C5H10N4O/c1-9-6-3-5(8-9)4-7-10-2/h3,7H,4H2,1-2H3
InChIKeyYZOKHQUECSJQNV-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.53
Rot. Bonds3

About N-methoxy-1-(2-methyltriazol-4-yl)methanamine

N-methoxy-1-(2-methyltriazol-4-yl)methanamine (PubChem CID 130588226) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-methoxy-1-(2-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methyltriazol-4-yl)methanamine
PubChem CID130588226
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-methoxy-1-(2-methyltriazol-4-yl)methanamine
SMILESCONCc1cnn(C)n1
InChIInChI=1S/C5H10N4O/c1-9-6-3-5(8-9)4-7-10-2/h3,7H,4H2,1-2H3
InChIKeyYZOKHQUECSJQNV-UHFFFAOYSA-N
XLogP-0.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235
N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine
CID 164648365
2-methyl-4-(methylsulfanylmethyl)triazole
CID 130658803
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
ethane;2-methyl-4-(nitrosomethyl)triazole
CID 143608312
6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
CID 130747973
N-[(2-methyltriazol-4-yl)methyl]-1,1-dioxothietan-3-amine
CID 130816027
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol
CID 130758123
2-[(2-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 130588294
2-methyl-4-(triazol-1-ylmethyl)triazole
CID 130977195

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methyltriazol-4-yl)methanamine?
The IUPAC name of N-methoxy-1-(2-methyltriazol-4-yl)methanamine (CID 130588226) is N-methoxy-1-(2-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-methoxy-1-(2-methyltriazol-4-yl)methanamine is CONCc1cnn(C)n1.
What is the InChIKey of N-methoxy-1-(2-methyltriazol-4-yl)methanamine?
The InChIKey is YZOKHQUECSJQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-6-3-5(8-9)4-7-10-2/h3,7H,4H2,1-2H3.
What are the key properties of N-methoxy-1-(2-methyltriazol-4-yl)methanamine?
N-methoxy-1-(2-methyltriazol-4-yl)methanamine has a molecular weight of 142.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 130588226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).