5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride

C7H19Cl2N5 — CID 172782153

IUPAC5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride
SMILESCC1C(N)=C(CCN)N(C)N1N.Cl.Cl
InChIInChI=1S/C7H17N5.2ClH/c1-5-7(9)6(3-4-8)11(2)12(5)10;;/h5H,3-4,8-10H2,1-2H3;2*1H
InChIKeyOKDCWMYUGFAHRW-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.23
Rot. Bonds2

About 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride

5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride (PubChem CID 172782153) has the molecular formula C7H19Cl2N5 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride
PubChem CID172782153
Molecular FormulaC7H19Cl2N5
Molecular Weight244.17 g/mol
Exact Mass243.10
IUPAC Name5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride
SMILESCC1C(N)=C(CCN)N(C)N1N.Cl.Cl
InChIInChI=1S/C7H17N5.2ClH/c1-5-7(9)6(3-4-8)11(2)12(5)10;;/h5H,3-4,8-10H2,1-2H3;2*1H
InChIKeyOKDCWMYUGFAHRW-UHFFFAOYSA-N
XLogP-0.23
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride?
The IUPAC name of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride (CID 172782153) is 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride?
The canonical SMILES for 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride is CC1C(N)=C(CCN)N(C)N1N.Cl.Cl.
What is the InChIKey of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride?
The InChIKey is OKDCWMYUGFAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5.2ClH/c1-5-7(9)6(3-4-8)11(2)12(5)10;;/h5H,3-4,8-10H2,1-2H3;2*1H.
What are the key properties of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride?
5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride has a molecular weight of 244.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride is sourced from PubChem (CID 172782153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).