N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride

C7H14Cl2N4 — CID 91811702

IUPACN-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(NC2CNC2)cn1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-7(4-9-11)10-6-2-8-3-6;;/h4-6,8,10H,2-3H2,1H3;2*1H
InChIKeySLVUGOWZTZQQDO-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.65
Rot. Bonds2

About N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride

N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride (PubChem CID 91811702) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
PubChem CID91811702
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC NameN-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(NC2CNC2)cn1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-7(4-9-11)10-6-2-8-3-6;;/h4-6,8,10H,2-3H2,1H3;2*1H
InChIKeySLVUGOWZTZQQDO-UHFFFAOYSA-N
XLogP0.65
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride (CID 91811702) is N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1cc(NC2CNC2)cn1.
What is the InChIKey of N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is SLVUGOWZTZQQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-11-5-7(4-9-11)10-6-2-8-3-6;;/h4-6,8,10H,2-3H2,1H3;2*1H.
What are the key properties of N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride?
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 91811702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).