5-(2-aminoethyl)-1-methylpyrazol-3-amine

C6H12N4 — CID 83864147

IUPAC5-(2-aminoethyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1CCN
InChIInChI=1S/C6H12N4/c1-10-5(2-3-7)4-6(8)9-10/h4H,2-3,7H2,1H3,(H2,8,9)
InChIKeyVTYWPLBIQWLAAK-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.50
Rot. Bonds2

About 5-(2-aminoethyl)-1-methylpyrazol-3-amine

5-(2-aminoethyl)-1-methylpyrazol-3-amine (PubChem CID 83864147) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-methylpyrazol-3-amine
PubChem CID83864147
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-(2-aminoethyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1CCN
InChIInChI=1S/C6H12N4/c1-10-5(2-3-7)4-6(8)9-10/h4H,2-3,7H2,1H3,(H2,8,9)
InChIKeyVTYWPLBIQWLAAK-UHFFFAOYSA-N
XLogP-0.50
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-1-methylpyrazol-3-amine (CID 83864147) is 5-(2-aminoethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-1-methylpyrazol-3-amine is Cn1nc(N)cc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-1-methylpyrazol-3-amine?
The InChIKey is VTYWPLBIQWLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-10-5(2-3-7)4-6(8)9-10/h4H,2-3,7H2,1H3,(H2,8,9).
What are the key properties of 5-(2-aminoethyl)-1-methylpyrazol-3-amine?
5-(2-aminoethyl)-1-methylpyrazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 83864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).