N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine

C7H8Cl2N4 — CID 106195757

IUPACN-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESC=CC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2N4/c1-3-4(2)10-6-5(8)12-13-7(9)11-6/h3-4H,1H2,2H3,(H,10,11,13)
InChIKeyTZSVYLFHDGYCHG-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.16
Rot. Bonds3

About N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine

N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 106195757) has the molecular formula C7H8Cl2N4 and a molecular weight of 219.08 g/mol. Its IUPAC name is N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID106195757
Molecular FormulaC7H8Cl2N4
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC NameN-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESC=CC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2N4/c1-3-4(2)10-6-5(8)12-13-7(9)11-6/h3-4H,1H2,2H3,(H,10,11,13)
InChIKeyTZSVYLFHDGYCHG-UHFFFAOYSA-N
XLogP2.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-but-3-en-2-yl-3-chloropyrazin-2-amine
CID 106195760
3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
CID 81037998
3-N-(3,6-dichloro-1,2,4-triazin-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 81038165
N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1,2,4-triazin-5-amine
CID 81037312
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106195755

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine (CID 106195757) is N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine is C=CC(C)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is TZSVYLFHDGYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4/c1-3-4(2)10-6-5(8)12-13-7(9)11-6/h3-4H,1H2,2H3,(H,10,11,13).
What are the key properties of N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine?
N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 219.08 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 106195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).