[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride

C10H19ClN4O — CID 169041954

IUPAC[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
SMILESCC1(Cn2ncnc2C[NH3+])CCOCC1.[Cl-]
InChIInChI=1S/C10H18N4O.ClH/c1-10(2-4-15-5-3-10)7-14-9(6-11)12-8-13-14;/h8H,2-7,11H2,1H3;1H
InChIKeyRYEKQYZMOWNXNW-UHFFFAOYSA-N
MW246.74 g/mol
LogP-3.16
Rot. Bonds3

About [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride

[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride (PubChem CID 169041954) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride.

Molecular Properties

Compound Name[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
PubChem CID169041954
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
SMILESCC1(Cn2ncnc2C[NH3+])CCOCC1.[Cl-]
InChIInChI=1S/C10H18N4O.ClH/c1-10(2-4-15-5-3-10)7-14-9(6-11)12-8-13-14;/h8H,2-7,11H2,1H3;1H
InChIKeyRYEKQYZMOWNXNW-UHFFFAOYSA-N
XLogP-3.16
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride?
The IUPAC name of [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride (CID 169041954) is [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride.
What is the SMILES notation for [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride?
The canonical SMILES for [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride is CC1(Cn2ncnc2C[NH3+])CCOCC1.[Cl-].
What is the InChIKey of [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride?
The InChIKey is RYEKQYZMOWNXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-10(2-4-15-5-3-10)7-14-9(6-11)12-8-13-14;/h8H,2-7,11H2,1H3;1H.
What are the key properties of [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride?
[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride has a molecular weight of 246.74 g/mol, XLogP of -3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride is sourced from PubChem (CID 169041954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).