(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride

C5H11ClN6 — CID 140981256

IUPAC(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(/N)CCC)N1N=N1
InChIInChI=1S/C5H10N6.ClH/c1-2-3-4(6)8-5(7)11-9-10-11;/h2-3H2,1H3,(H3,6,7,8);1H
InChIKeyKDBUUBQNXVRIRY-UHFFFAOYSA-N
MW190.64 g/mol
LogP1.10
Rot. Bonds2

About (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride

(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride (PubChem CID 140981256) has the molecular formula C5H11ClN6 and a molecular weight of 190.64 g/mol. Its IUPAC name is (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride
PubChem CID140981256
Molecular FormulaC5H11ClN6
Molecular Weight190.64 g/mol
Exact Mass190.07
IUPAC Name(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(/N)CCC)N1N=N1
InChIInChI=1S/C5H10N6.ClH/c1-2-3-4(6)8-5(7)11-9-10-11;/h2-3H2,1H3,(H3,6,7,8);1H
InChIKeyKDBUUBQNXVRIRY-UHFFFAOYSA-N
XLogP1.10
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.64
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride?
The IUPAC name of (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride (CID 140981256) is (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride.
What is the SMILES notation for (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride?
The canonical SMILES for (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N=C(/N)CCC)N1N=N1.
What is the InChIKey of (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride?
The InChIKey is KDBUUBQNXVRIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6.ClH/c1-2-3-4(6)8-5(7)11-9-10-11;/h2-3H2,1H3,(H3,6,7,8);1H.
What are the key properties of (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride?
(NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride has a molecular weight of 190.64 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-aminobutylidene)triazirine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140981256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).