2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride

C7H16Cl2N4 — CID 146082520

IUPAC2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
SMILESCc1nc(C(C)(C)CN)n[nH]1.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-5-9-6(11-10-5)7(2,3)4-8;;/h4,8H2,1-3H3,(H,9,10,11);2*1H
InChIKeyFLESANWCCHGYJG-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride

2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride (PubChem CID 146082520) has the molecular formula C7H16Cl2N4 and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
PubChem CID146082520
Molecular FormulaC7H16Cl2N4
Molecular Weight227.14 g/mol
Exact Mass226.08
IUPAC Name2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
SMILESCc1nc(C(C)(C)CN)n[nH]1.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-5-9-6(11-10-5)7(2,3)4-8;;/h4,8H2,1-3H3,(H,9,10,11);2*1H
InChIKeyFLESANWCCHGYJG-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride (CID 146082520) is 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride is Cc1nc(C(C)(C)CN)n[nH]1.Cl.Cl.
What is the InChIKey of 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The InChIKey is FLESANWCCHGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.2ClH/c1-5-9-6(11-10-5)7(2,3)4-8;;/h4,8H2,1-3H3,(H,9,10,11);2*1H.
What are the key properties of 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride has a molecular weight of 227.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 146082520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).