pentanedinitrile;pyridine-2,6-diamine

C10H13N5 — CID 158710105

IUPACpentanedinitrile;pyridine-2,6-diamine
SMILESN#CCCCC#N.Nc1cccc(N)n1
InChIInChI=1S/C5H7N3.C5H6N2/c6-4-2-1-3-5(7)8-4;6-4-2-1-3-5-7/h1-3H,(H4,6,7,8);1-3H2
InChIKeyIIPNFCKBLJAKAJ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.45
Rot. Bonds2

About pentanedinitrile;pyridine-2,6-diamine

pentanedinitrile;pyridine-2,6-diamine (PubChem CID 158710105) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is pentanedinitrile;pyridine-2,6-diamine.

Molecular Properties

Compound Namepentanedinitrile;pyridine-2,6-diamine
PubChem CID158710105
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Namepentanedinitrile;pyridine-2,6-diamine
SMILESN#CCCCC#N.Nc1cccc(N)n1
InChIInChI=1S/C5H7N3.C5H6N2/c6-4-2-1-3-5(7)8-4;6-4-2-1-3-5-7/h1-3H,(H4,6,7,8);1-3H2
InChIKeyIIPNFCKBLJAKAJ-UHFFFAOYSA-N
XLogP1.45
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
acetonitrile;6-bromopyridin-2-amine
CID 174954526
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
6-(3-aminopyrazol-1-yl)hexanenitrile
CID 165482072
5-(4-aminophenyl)pentanenitrile
CID 13350835
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
CID 62098645
5-(1,3-benzoxazol-2-yl)pentanenitrile
CID 121008202
3-deuteriopyridine-2,6-diamine
CID 54392354
3-(N-(4-amino-1,3-benzoxazol-2-yl)anilino)propanenitrile
CID 79881652
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981

Frequently Asked Questions

What is the IUPAC name of pentanedinitrile;pyridine-2,6-diamine?
The IUPAC name of pentanedinitrile;pyridine-2,6-diamine (CID 158710105) is pentanedinitrile;pyridine-2,6-diamine.
What is the SMILES notation for pentanedinitrile;pyridine-2,6-diamine?
The canonical SMILES for pentanedinitrile;pyridine-2,6-diamine is N#CCCCC#N.Nc1cccc(N)n1.
What is the InChIKey of pentanedinitrile;pyridine-2,6-diamine?
The InChIKey is IIPNFCKBLJAKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C5H6N2/c6-4-2-1-3-5(7)8-4;6-4-2-1-3-5-7/h1-3H,(H4,6,7,8);1-3H2.
What are the key properties of pentanedinitrile;pyridine-2,6-diamine?
pentanedinitrile;pyridine-2,6-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedinitrile;pyridine-2,6-diamine is sourced from PubChem (CID 158710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).