3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C12H21N7 — CID 123246144

IUPAC3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCNC(C)C1
InChIInChI=1S/C12H21N7/c1-8-5-12(18-17-8)16-10(13)6-11(14)19-4-3-15-9(2)7-19/h5,9,14-15H,3-4,6-7H2,1-2H3,(H3,13,16,17,18)/b14-11+
InChIKeyFKIRIOGQQCVSAS-SDNWHVSQSA-N
MW263.35 g/mol
LogP0.37
Rot. Bonds3

About 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123246144) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123246144
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCNC(C)C1
InChIInChI=1S/C12H21N7/c1-8-5-12(18-17-8)16-10(13)6-11(14)19-4-3-15-9(2)7-19/h5,9,14-15H,3-4,6-7H2,1-2H3,(H3,13,16,17,18)/b14-11+
InChIKeyFKIRIOGQQCVSAS-SDNWHVSQSA-N
XLogP0.37
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123246144) is 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCNC(C)C1.
What is the InChIKey of 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is FKIRIOGQQCVSAS-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H21N7/c1-8-5-12(18-17-8)16-10(13)6-11(14)19-4-3-15-9(2)7-19/h5,9,14-15H,3-4,6-7H2,1-2H3,(H3,13,16,17,18)/b14-11+.
What are the key properties of 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 263.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(3-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123246144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).