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

C7H17N5 — CID 66645365

IUPAC5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
SMILESCC1C(N)=C(CCN)N(C)N1N
InChIInChI=1S/C7H17N5/c1-5-7(9)6(3-4-8)11(2)12(5)10/h5H,3-4,8-10H2,1-2H3
InChIKeyRGJZYQQJISIEFA-UHFFFAOYSA-N
MW171.25 g/mol
LogP-1.07
Rot. Bonds2

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

5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine (PubChem CID 66645365) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
PubChem CID66645365
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
SMILESCC1C(N)=C(CCN)N(C)N1N
InChIInChI=1S/C7H17N5/c1-5-7(9)6(3-4-8)11(2)12(5)10/h5H,3-4,8-10H2,1-2H3
InChIKeyRGJZYQQJISIEFA-UHFFFAOYSA-N
XLogP-1.07
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-1.07
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?
The IUPAC name of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine (CID 66645365) is 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine.
What is the SMILES notation for 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
The canonical SMILES for 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine is CC1C(N)=C(CCN)N(C)N1N.
What is the InChIKey of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
The InChIKey is RGJZYQQJISIEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-5-7(9)6(3-4-8)11(2)12(5)10/h5H,3-4,8-10H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine has a molecular weight of 171.25 g/mol, XLogP of -1.07, 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 is sourced from PubChem (CID 66645365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).