(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine

C15H26N6 — CID 142851786

IUPAC(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
SMILESC/C(N)=c1/c(C)nnc(NCC2CCN(C)C2)/c1=C(/C)N
InChIInChI=1S/C15H26N6/c1-9(16)13-11(3)19-20-15(14(13)10(2)17)18-7-12-5-6-21(4)8-12/h12H,5-8,16-17H2,1-4H3,(H,18,20)/b13-9+,14-10-
InChIKeyTZHJPNNPCCVOPX-ITAGJCAXSA-N
MW290.42 g/mol
LogP-0.68
Rot. Bonds3

About (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine

(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine (PubChem CID 142851786) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
PubChem CID142851786
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
SMILESC/C(N)=c1/c(C)nnc(NCC2CCN(C)C2)/c1=C(/C)N
InChIInChI=1S/C15H26N6/c1-9(16)13-11(3)19-20-15(14(13)10(2)17)18-7-12-5-6-21(4)8-12/h12H,5-8,16-17H2,1-4H3,(H,18,20)/b13-9+,14-10-
InChIKeyTZHJPNNPCCVOPX-ITAGJCAXSA-N
XLogP-0.68
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine?
The IUPAC name of (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine (CID 142851786) is (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine?
The canonical SMILES for (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine is C/C(N)=c1/c(C)nnc(NCC2CCN(C)C2)/c1=C(/C)N.
What is the InChIKey of (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine?
The InChIKey is TZHJPNNPCCVOPX-ITAGJCAXSA-N. The full InChI is InChI=1S/C15H26N6/c1-9(16)13-11(3)19-20-15(14(13)10(2)17)18-7-12-5-6-21(4)8-12/h12H,5-8,16-17H2,1-4H3,(H,18,20)/b13-9+,14-10-.
What are the key properties of (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine?
(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine has a molecular weight of 290.42 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 142851786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).