(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

C8H16Cl2N4 — CID 75480562

IUPAC(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CN)nnc1C1CCC1
InChIInChI=1S/C8H14N4.2ClH/c1-12-7(5-9)10-11-8(12)6-3-2-4-6;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyHSBRSDUFUJIPHL-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.38
Rot. Bonds2

About (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 75480562) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID75480562
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CN)nnc1C1CCC1
InChIInChI=1S/C8H14N4.2ClH/c1-12-7(5-9)10-11-8(12)6-3-2-4-6;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyHSBRSDUFUJIPHL-UHFFFAOYSA-N
XLogP1.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 75480562) is (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is Cl.Cl.Cn1c(CN)nnc1C1CCC1.
What is the InChIKey of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is HSBRSDUFUJIPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-12-7(5-9)10-11-8(12)6-3-2-4-6;;/h6H,2-5,9H2,1H3;2*1H.
What are the key properties of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75480562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).