1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

C7H15ClN4 — CID 71757606

IUPAC1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCC(C)c1n[nH]c(C(C)N)n1.Cl
InChIInChI=1S/C7H14N4.ClH/c1-4(2)6-9-7(5(3)8)11-10-6;/h4-5H,8H2,1-3H3,(H,9,10,11);1H
InChIKeyVXIQHNKHIPANPN-UHFFFAOYSA-N
MW190.68 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (PubChem CID 71757606) has the molecular formula C7H15ClN4 and a molecular weight of 190.68 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
PubChem CID71757606
Molecular FormulaC7H15ClN4
Molecular Weight190.68 g/mol
Exact Mass190.10
IUPAC Name1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCC(C)c1n[nH]c(C(C)N)n1.Cl
InChIInChI=1S/C7H14N4.ClH/c1-4(2)6-9-7(5(3)8)11-10-6;/h4-5H,8H2,1-3H3,(H,9,10,11);1H
InChIKeyVXIQHNKHIPANPN-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (CID 71757606) is 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is CC(C)c1n[nH]c(C(C)N)n1.Cl.
What is the InChIKey of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The InChIKey is VXIQHNKHIPANPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.ClH/c1-4(2)6-9-7(5(3)8)11-10-6;/h4-5H,8H2,1-3H3,(H,9,10,11);1H.
What are the key properties of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride has a molecular weight of 190.68 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).