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

C7H17N5 — CID 154399109

IUPAC5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
SMILESCC(N)C1=C(N)C(C)N(N)N1C
InChIInChI=1S/C7H17N5/c1-4(8)7-6(9)5(2)12(10)11(7)3/h4-5H,8-10H2,1-3H3
InChIKeyAAFKAIOFRJVBEP-UHFFFAOYSA-N
MW171.25 g/mol
LogP-1.07
Rot. Bonds1

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

5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine (PubChem CID 154399109) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine.

Molecular Properties

Compound Name5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
PubChem CID154399109
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
SMILESCC(N)C1=C(N)C(C)N(N)N1C
InChIInChI=1S/C7H17N5/c1-4(8)7-6(9)5(2)12(10)11(7)3/h4-5H,8-10H2,1-3H3
InChIKeyAAFKAIOFRJVBEP-UHFFFAOYSA-N
XLogP-1.07
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
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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Related Compounds

5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
CID 66645365
3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine
CID 70572818
6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine
CID 123369821
(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine
CID 126702023
5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine;dihydrochloride
CID 172782153

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
The IUPAC name of 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine (CID 154399109) is 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine.
What is the SMILES notation for 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
The canonical SMILES for 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine is CC(N)C1=C(N)C(C)N(N)N1C.
What is the InChIKey of 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
The InChIKey is AAFKAIOFRJVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-4(8)7-6(9)5(2)12(10)11(7)3/h4-5H,8-10H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine?
5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine has a molecular weight of 171.25 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine is sourced from PubChem (CID 154399109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).