[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride

C7H14Cl2N4O — CID 121209116

IUPAC[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(C2CCOC2)nn1
InChIInChI=1S/C7H12N4O.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h4,7H,1-3,5,8H2;2*1H
InChIKeyANOVUSWDHPDSAV-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.54
Rot. Bonds2

About [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride

[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride (PubChem CID 121209116) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride
PubChem CID121209116
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(C2CCOC2)nn1
InChIInChI=1S/C7H12N4O.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h4,7H,1-3,5,8H2;2*1H
InChIKeyANOVUSWDHPDSAV-UHFFFAOYSA-N
XLogP0.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride (CID 121209116) is [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride is Cl.Cl.NCc1cn(C2CCOC2)nn1.
What is the InChIKey of [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride?
The InChIKey is ANOVUSWDHPDSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h4,7H,1-3,5,8H2;2*1H.
What are the key properties of [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride?
[1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-yl)triazol-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 121209116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).