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

C5H10N4O — CID 82707197

IUPACN-methoxy-1-(1-methyltriazol-4-yl)methanamine
SMILESCONCc1cn(C)nn1
InChIInChI=1S/C5H10N4O/c1-9-4-5(7-8-9)3-6-10-2/h4,6H,3H2,1-2H3
InChIKeyNQYKLDVHSDYYCO-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.53
Rot. Bonds3

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

N-methoxy-1-(1-methyltriazol-4-yl)methanamine (PubChem CID 82707197) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-methoxy-1-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(1-methyltriazol-4-yl)methanamine
PubChem CID82707197
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-methoxy-1-(1-methyltriazol-4-yl)methanamine
SMILESCONCc1cn(C)nn1
InChIInChI=1S/C5H10N4O/c1-9-4-5(7-8-9)3-6-10-2/h4,6H,3H2,1-2H3
InChIKeyNQYKLDVHSDYYCO-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

3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
CID 62755426
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of N-methoxy-1-(1-methyltriazol-4-yl)methanamine (CID 82707197) is N-methoxy-1-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-methoxy-1-(1-methyltriazol-4-yl)methanamine is CONCc1cn(C)nn1.
What is the InChIKey of N-methoxy-1-(1-methyltriazol-4-yl)methanamine?
The InChIKey is NQYKLDVHSDYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-4-5(7-8-9)3-6-10-2/h4,6H,3H2,1-2H3.
What are the key properties of N-methoxy-1-(1-methyltriazol-4-yl)methanamine?
N-methoxy-1-(1-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-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 82707197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).