1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine

C8H14N4 — CID 142206039

IUPAC1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine
SMILESC=C(N)CCn1cc(NC)cn1
InChIInChI=1S/C8H14N4/c1-7(9)3-4-12-6-8(10-2)5-11-12/h5-6,10H,1,3-4,9H2,2H3
InChIKeyIHDSUCQBBOOVAA-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine

1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine (PubChem CID 142206039) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine
PubChem CID142206039
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine
SMILESC=C(N)CCn1cc(NC)cn1
InChIInChI=1S/C8H14N4/c1-7(9)3-4-12-6-8(10-2)5-11-12/h5-6,10H,1,3-4,9H2,2H3
InChIKeyIHDSUCQBBOOVAA-UHFFFAOYSA-N
XLogP0.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine?
The IUPAC name of 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine (CID 142206039) is 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine is C=C(N)CCn1cc(NC)cn1.
What is the InChIKey of 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine?
The InChIKey is IHDSUCQBBOOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(9)3-4-12-6-8(10-2)5-11-12/h5-6,10H,1,3-4,9H2,2H3.
What are the key properties of 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine?
1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobut-3-enyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 142206039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).