3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine

C9H17N5 — CID 131138339

IUPAC3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine
SMILESCN(C)C1CN(c2nn(C)cc2N)C1
InChIInChI=1S/C9H17N5/c1-12(2)7-4-14(5-7)9-8(10)6-13(3)11-9/h6-7H,4-5,10H2,1-3H3
InChIKeyAMLSYVOTUFEVHO-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.25
Rot. Bonds2

About 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine

3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine (PubChem CID 131138339) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine
PubChem CID131138339
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine
SMILESCN(C)C1CN(c2nn(C)cc2N)C1
InChIInChI=1S/C9H17N5/c1-12(2)7-4-14(5-7)9-8(10)6-13(3)11-9/h6-7H,4-5,10H2,1-3H3
InChIKeyAMLSYVOTUFEVHO-UHFFFAOYSA-N
XLogP-0.25
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine (CID 131138339) is 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine is CN(C)C1CN(c2nn(C)cc2N)C1.
What is the InChIKey of 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine?
The InChIKey is AMLSYVOTUFEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-12(2)7-4-14(5-7)9-8(10)6-13(3)11-9/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine?
3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)azetidin-1-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 131138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).