N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide

C10H19N7O — CID 114222703

IUPACN'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2cnnn2C)CC1
InChIInChI=1S/C10H19N7O/c1-8(10(11)13-18)16-3-5-17(6-4-16)9-7-12-14-15(9)2/h7-8,18H,3-6H2,1-2H3,(H2,11,13)
InChIKeyLZPDYWIXGWGRTK-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.93
Rot. Bonds3

About N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide (PubChem CID 114222703) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide
PubChem CID114222703
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2cnnn2C)CC1
InChIInChI=1S/C10H19N7O/c1-8(10(11)13-18)16-3-5-17(6-4-16)9-7-12-14-15(9)2/h7-8,18H,3-6H2,1-2H3,(H2,11,13)
InChIKeyLZPDYWIXGWGRTK-UHFFFAOYSA-N
XLogP-0.93
TPSA95.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide (CID 114222703) is N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(c2cnnn2C)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide?
The InChIKey is LZPDYWIXGWGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-8(10(11)13-18)16-3-5-17(6-4-16)9-7-12-14-15(9)2/h7-8,18H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide has a molecular weight of 253.31 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 114222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).