(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine

C11H20N6 — CID 170060907

IUPAC(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine
SMILESCC/C(=N\C(=C/N)CNC(C)C)n1cncn1
InChIInChI=1S/C11H20N6/c1-4-11(17-8-13-7-15-17)16-10(5-12)6-14-9(2)3/h5,7-9,14H,4,6,12H2,1-3H3/b10-5-,16-11+
InChIKeyQHFHZAOURPDQTM-GAARHNRQSA-N
MW236.32 g/mol
LogP0.73
Rot. Bonds5

About (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine

(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine (PubChem CID 170060907) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine
PubChem CID170060907
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine
SMILESCC/C(=N\C(=C/N)CNC(C)C)n1cncn1
InChIInChI=1S/C11H20N6/c1-4-11(17-8-13-7-15-17)16-10(5-12)6-14-9(2)3/h5,7-9,14H,4,6,12H2,1-3H3/b10-5-,16-11+
InChIKeyQHFHZAOURPDQTM-GAARHNRQSA-N
XLogP0.73
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine (CID 170060907) is (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine is CC/C(=N\C(=C/N)CNC(C)C)n1cncn1.
What is the InChIKey of (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine?
The InChIKey is QHFHZAOURPDQTM-GAARHNRQSA-N. The full InChI is InChI=1S/C11H20N6/c1-4-11(17-8-13-7-15-17)16-10(5-12)6-14-9(2)3/h5,7-9,14H,4,6,12H2,1-3H3/b10-5-,16-11+.
What are the key properties of (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine?
(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine is sourced from PubChem (CID 170060907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).