4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine

C13H23N10P — CID 126676417

IUPAC4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine
SMILESCPN(N)/C=C(\N)Cn1cc(Cc2cc(N)nc(NN)c2N)cn1
InChIInChI=1S/C13H23N10P/c1-24-23(18)7-10(14)6-22-5-8(4-19-22)2-9-3-11(15)20-13(21-17)12(9)16/h3-5,7,24H,2,6,14,16-18H2,1H3,(H3,15,20,21)/b10-7-
InChIKeySABBDIKVIDIWOA-YFHOEESVSA-N
MW350.37 g/mol
LogP-0.48
Rot. Bonds7

About 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine

4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126676417) has the molecular formula C13H23N10P and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126676417
Molecular FormulaC13H23N10P
Molecular Weight350.37 g/mol
Exact Mass350.18
IUPAC Name4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine
SMILESCPN(N)/C=C(\N)Cn1cc(Cc2cc(N)nc(NN)c2N)cn1
InChIInChI=1S/C13H23N10P/c1-24-23(18)7-10(14)6-22-5-8(4-19-22)2-9-3-11(15)20-13(21-17)12(9)16/h3-5,7,24H,2,6,14,16-18H2,1H3,(H3,15,20,21)/b10-7-
InChIKeySABBDIKVIDIWOA-YFHOEESVSA-N
XLogP-0.48
TPSA176.08 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine (CID 126676417) is 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine is CPN(N)/C=C(\N)Cn1cc(Cc2cc(N)nc(NN)c2N)cn1.
What is the InChIKey of 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is SABBDIKVIDIWOA-YFHOEESVSA-N. The full InChI is InChI=1S/C13H23N10P/c1-24-23(18)7-10(14)6-22-5-8(4-19-22)2-9-3-11(15)20-13(21-17)12(9)16/h3-5,7,24H,2,6,14,16-18H2,1H3,(H3,15,20,21)/b10-7-.
What are the key properties of 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine?
4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 350.37 g/mol, XLogP of -0.48, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(Z)-2-amino-3-[amino(methylphosphanyl)amino]prop-2-enyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126676417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).