N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine

C6H12N4 — CID 63962899

IUPACN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
SMILESCn1nccc1NCCN
InChIInChI=1S/C6H12N4/c1-10-6(2-4-9-10)8-5-3-7/h2,4,8H,3,5,7H2,1H3
InChIKeyCUTNSFKUMKABGS-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.21
Rot. Bonds3

About N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine

N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine (PubChem CID 63962899) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
PubChem CID63962899
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
SMILESCn1nccc1NCCN
InChIInChI=1S/C6H12N4/c1-10-6(2-4-9-10)8-5-3-7/h2,4,8H,3,5,7H2,1H3
InChIKeyCUTNSFKUMKABGS-UHFFFAOYSA-N
XLogP-0.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine (CID 63962899) is N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine is Cn1nccc1NCCN.
What is the InChIKey of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine?
The InChIKey is CUTNSFKUMKABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-10-6(2-4-9-10)8-5-3-7/h2,4,8H,3,5,7H2,1H3.
What are the key properties of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine?
N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63962899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).