3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile

C13H15N7 — CID 80916650

IUPAC3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)c1cc(NN)ncn1
InChIInChI=1S/C13H15N7/c14-4-2-6-20(9-11-3-1-5-16-8-11)13-7-12(19-15)17-10-18-13/h1,3,5,7-8,10H,2,6,9,15H2,(H,17,18,19)
InChIKeyIYOCUVYFJRTNOQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.08
Rot. Bonds6

About 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile

3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 80916650) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID80916650
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)c1cc(NN)ncn1
InChIInChI=1S/C13H15N7/c14-4-2-6-20(9-11-3-1-5-16-8-11)13-7-12(19-15)17-10-18-13/h1,3,5,7-8,10H,2,6,9,15H2,(H,17,18,19)
InChIKeyIYOCUVYFJRTNOQ-UHFFFAOYSA-N
XLogP1.08
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-aminopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80754888
3-[(5,6-diamino-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79822623
3-[(2-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 62338506
3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 43132705
3-[(5-bromopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 66340342
3-[(3-amino-5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61227873
3-[(5-amino-1H-pyrazol-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114991577
3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 104532059
3-[2-(chloromethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 28946190
N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 61240350
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 63669035
3-[(4-amino-1-methylpyrazol-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 103077826

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile (CID 80916650) is 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile is N#CCCN(Cc1cccnc1)c1cc(NN)ncn1.
What is the InChIKey of 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is IYOCUVYFJRTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c14-4-2-6-20(9-11-3-1-5-16-8-11)13-7-12(19-15)17-10-18-13/h1,3,5,7-8,10H,2,6,9,15H2,(H,17,18,19).
What are the key properties of 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 269.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 80916650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).