3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine

C10H18N4 — CID 103015435

IUPAC3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
SMILESCn1cc(CCN2CC(C)(N)C2)cn1
InChIInChI=1S/C10H18N4/c1-10(11)7-14(8-10)4-3-9-5-12-13(2)6-9/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeyCRBQDNYXGYNGDX-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.00
Rot. Bonds3

About 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine (PubChem CID 103015435) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
PubChem CID103015435
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
SMILESCn1cc(CCN2CC(C)(N)C2)cn1
InChIInChI=1S/C10H18N4/c1-10(11)7-14(8-10)4-3-9-5-12-13(2)6-9/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeyCRBQDNYXGYNGDX-UHFFFAOYSA-N
XLogP-0.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine?
The IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine (CID 103015435) is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine?
The canonical SMILES for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine is Cn1cc(CCN2CC(C)(N)C2)cn1.
What is the InChIKey of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine?
The InChIKey is CRBQDNYXGYNGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(11)7-14(8-10)4-3-9-5-12-13(2)6-9/h5-6H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine?
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 103015435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).