(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride

C7H16Cl2N4 — CID 154577143

IUPAC(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride
SMILESCC(C)(C)n1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-7(2,3)11-5-6(4-8)9-10-11;;/h5H,4,8H2,1-3H3;2*1H
InChIKeyJAROVGBEPWKIMF-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.34
Rot. Bonds1

About (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride

(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 154577143) has the molecular formula C7H16Cl2N4 and a molecular weight of 227.14 g/mol. Its IUPAC name is (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride
PubChem CID154577143
Molecular FormulaC7H16Cl2N4
Molecular Weight227.14 g/mol
Exact Mass226.08
IUPAC Name(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride
SMILESCC(C)(C)n1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-7(2,3)11-5-6(4-8)9-10-11;;/h5H,4,8H2,1-3H3;2*1H
InChIKeyJAROVGBEPWKIMF-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
N-((1-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopropanamine
CID 62755384
1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 119031929
1-[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 121209119

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride (CID 154577143) is (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride is CC(C)(C)n1cc(CN)nn1.Cl.Cl.
What is the InChIKey of (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is JAROVGBEPWKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.2ClH/c1-7(2,3)11-5-6(4-8)9-10-11;;/h5H,4,8H2,1-3H3;2*1H.
What are the key properties of (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride?
(1-tert-butyltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 227.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154577143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).