N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine

C8H10N4 — CID 59106726

IUPACN'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine
SMILES[C-]#[N+]c1ccc(NCCN)nc1
InChIInChI=1S/C8H10N4/c1-10-7-2-3-8(12-6-7)11-5-4-9/h2-3,6H,4-5,9H2,(H,11,12)
InChIKeyYGMMFXTWSSUVNX-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.00
Rot. Bonds3

About N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine

N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine (PubChem CID 59106726) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine
PubChem CID59106726
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine
SMILES[C-]#[N+]c1ccc(NCCN)nc1
InChIInChI=1S/C8H10N4/c1-10-7-2-3-8(12-6-7)11-5-4-9/h2-3,6H,4-5,9H2,(H,11,12)
InChIKeyYGMMFXTWSSUVNX-UHFFFAOYSA-N
XLogP1.00
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-isocyano-2-pyridinyl)hydrazine
CID 59280195
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
CID 107323387
(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile
CID 58881686
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
CID 63767403
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
CID 67561666
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151

Frequently Asked Questions

What is the IUPAC name of N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine (CID 59106726) is N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine is [C-]#[N+]c1ccc(NCCN)nc1.
What is the InChIKey of N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is YGMMFXTWSSUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-10-7-2-3-8(12-6-7)11-5-4-9/h2-3,6H,4-5,9H2,(H,11,12).
What are the key properties of N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine?
N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 162.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 59106726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).