3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine

C9H10Cl2N6 — CID 81036356

IUPAC3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine
SMILESCn1ccnc1CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-8-7(10)15-16-9(11)14-8/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyRTCDZJAANVDMBO-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.57
Rot. Bonds4

About 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 81036356) has the molecular formula C9H10Cl2N6 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine
PubChem CID81036356
Molecular FormulaC9H10Cl2N6
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine
SMILESCn1ccnc1CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-8-7(10)15-16-9(11)14-8/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyRTCDZJAANVDMBO-UHFFFAOYSA-N
XLogP1.57
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-Chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 64369273
5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
CID 164513227
N-butyl-5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 134129170
8-Chloro-3-ethyl-[1,2,4]triazolo[4,3-A]pyrazine
CID 29923461
8-Chloro-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64369272
6-Chloro-N,3-dimethyl-1,2,4-triazolo[4,3-a]pyrazin-8-amine
CID 139366128
6-chloro-N-isopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139366152
6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane
CID 153328760
[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride
CID 178027949
N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
CID 43479039
2-([1,2,4]Triazolo[4,3-a]pyrazin-3-yl)ethanamine
CID 43479055
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55037740

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine (CID 81036356) is 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine is Cn1ccnc1CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is RTCDZJAANVDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-8-7(10)15-16-9(11)14-8/h4-5H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine has a molecular weight of 273.13 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).