1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

C7H16Cl2N4 — CID 47000737

IUPAC1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCCCn1cnnc1C(C)N.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-3-4-11-5-9-10-7(11)6(2)8;;/h5-6H,3-4,8H2,1-2H3;2*1H
InChIKeyFOUIXVIFXXONEL-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 47000737) has the molecular formula C7H16Cl2N4 and a molecular weight of 227.14 g/mol. Its IUPAC name is 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
PubChem CID47000737
Molecular FormulaC7H16Cl2N4
Molecular Weight227.14 g/mol
Exact Mass226.08
IUPAC Name1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCCCn1cnnc1C(C)N.Cl.Cl
InChIInChI=1S/C7H14N4.2ClH/c1-3-4-11-5-9-10-7(11)6(2)8;;/h5-6H,3-4,8H2,1-2H3;2*1H
InChIKeyFOUIXVIFXXONEL-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 131899476
ethyl 2-(4-propyl-1,2,4-triazol-3-yl)pentanoate
CID 79472088
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
CID 119891069
3-(3-propan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
CID 82512111
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
4-ethyl-3-pentan-2-yl-1,2,4-triazole
CID 115394788
ethyl 2-(4-fluorophenyl)-2-(4-propyl-1,2,4-triazol-3-yl)acetate
CID 79482482
ethyl 3-phenyl-2-(4-propyl-1,2,4-triazol-3-yl)propanoate
CID 79482490
1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 97208055

Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (CID 47000737) is 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is CCCn1cnnc1C(C)N.Cl.Cl.
What is the InChIKey of 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is FOUIXVIFXXONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.2ClH/c1-3-4-11-5-9-10-7(11)6(2)8;;/h5-6H,3-4,8H2,1-2H3;2*1H.
What are the key properties of 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 227.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 47000737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).