3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide

C11H20N6 — CID 114222709

IUPAC3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cnnn1CCC)C1CC1
InChIInChI=1S/C11H20N6/c1-2-6-17-11(8-14-15-17)16(9-3-4-9)7-5-10(12)13/h8-9H,2-7H2,1H3,(H3,12,13)
InChIKeyDGVUPJQEHYBYDU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds7

About 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide

3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide (PubChem CID 114222709) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide
PubChem CID114222709
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cnnn1CCC)C1CC1
InChIInChI=1S/C11H20N6/c1-2-6-17-11(8-14-15-17)16(9-3-4-9)7-5-10(12)13/h8-9H,2-7H2,1H3,(H3,12,13)
InChIKeyDGVUPJQEHYBYDU-UHFFFAOYSA-N
XLogP0.98
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
CID 63873192
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 65272361
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
CID 65272472
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
CID 64750263
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide (CID 114222709) is 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1cnnn1CCC)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide?
The InChIKey is DGVUPJQEHYBYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-2-6-17-11(8-14-15-17)16(9-3-4-9)7-5-10(12)13/h8-9H,2-7H2,1H3,(H3,12,13).
What are the key properties of 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide?
3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide has a molecular weight of 236.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide is sourced from PubChem (CID 114222709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).