1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C6H12N4 — CID 43519509

IUPAC1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(N)CN)cn1
InChIInChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3
InChIKeyHIWAIHBATLLXPU-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.62
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43519509) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43519509
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(N)CN)cn1
InChIInChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3
InChIKeyHIWAIHBATLLXPU-UHFFFAOYSA-N
XLogP-0.62
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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43519509) is 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cn1cc(C(N)CN)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is HIWAIHBATLLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43519509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).