N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine

C13H18Cl2N4 — CID 102762067

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESNNc1nc(NCC2CC3CCC2C3)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c14-10-5-11(15)13(19-16)18-12(10)17-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,16H2,(H2,17,18,19)
InChIKeyAATUIJCFGQZEIG-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.52
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (PubChem CID 102762067) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
PubChem CID102762067
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESNNc1nc(NCC2CC3CCC2C3)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c14-10-5-11(15)13(19-16)18-12(10)17-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,16H2,(H2,17,18,19)
InChIKeyAATUIJCFGQZEIG-UHFFFAOYSA-N
XLogP3.52
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
CID 114478130
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937154
3,5-dichloro-N-(1,4-dioxan-2-ylmethyl)-6-hydrazinylpyridin-2-amine
CID 102761703
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275388

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (CID 102762067) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is NNc1nc(NCC2CC3CCC2C3)c(Cl)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The InChIKey is AATUIJCFGQZEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4/c14-10-5-11(15)13(19-16)18-12(10)17-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,16H2,(H2,17,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine has a molecular weight of 301.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 102762067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).