azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne

C8H14N6O — CID 162154046

IUPACazidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne
SMILESC#CC.CN=[N+]=[N-].Cn1cc(CO)nn1
InChIInChI=1S/C4H7N3O.C3H4.CH3N3/c1-7-2-4(3-8)5-6-7;1-3-2;1-3-4-2/h2,8H,3H2,1H3;1H,2H3;1H3
InChIKeyZLOWPDVDCPLHOD-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.87
Rot. Bonds1

About azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne

azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne (PubChem CID 162154046) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne.

Molecular Properties

Compound Nameazidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne
PubChem CID162154046
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Nameazidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne
SMILESC#CC.CN=[N+]=[N-].Cn1cc(CO)nn1
InChIInChI=1S/C4H7N3O.C3H4.CH3N3/c1-7-2-4(3-8)5-6-7;1-3-2;1-3-4-2/h2,8H,3H2,1H3;1H,2H3;1H3
InChIKeyZLOWPDVDCPLHOD-UHFFFAOYSA-N
XLogP0.87
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
1-methyl-4-pent-4-ynyltriazole
CID 58281228
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-(isocyanomethyl)-1-methyltriazole
CID 83478632
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
2-(2-methylphenyl)-2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058399
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 103866287
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311

Frequently Asked Questions

What is the IUPAC name of azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne?
The IUPAC name of azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne (CID 162154046) is azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne.
What is the SMILES notation for azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne?
The canonical SMILES for azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne is C#CC.CN=[N+]=[N-].Cn1cc(CO)nn1.
What is the InChIKey of azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne?
The InChIKey is ZLOWPDVDCPLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C3H4.CH3N3/c1-7-2-4(3-8)5-6-7;1-3-2;1-3-4-2/h2,8H,3H2,1H3;1H,2H3;1H3.
What are the key properties of azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne?
azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne has a molecular weight of 210.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;(1-methyltriazol-4-yl)methanol;prop-1-yne is sourced from PubChem (CID 162154046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).