N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine

C9H15F2N5 — CID 107494007

IUPACN'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)F)nc1C
InChIInChI=1S/C9H15F2N5/c1-6-7(2)14-15-9(13-6)16(4-3-12)5-8(10)11/h8H,3-5,12H2,1-2H3
InChIKeyYGUVKNNCCQSMLM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.52
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine (PubChem CID 107494007) has the molecular formula C9H15F2N5 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
PubChem CID107494007
Molecular FormulaC9H15F2N5
Molecular Weight231.25 g/mol
Exact Mass231.13
IUPAC NameN'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)F)nc1C
InChIInChI=1S/C9H15F2N5/c1-6-7(2)14-15-9(13-6)16(4-3-12)5-8(10)11/h8H,3-5,12H2,1-2H3
InChIKeyYGUVKNNCCQSMLM-UHFFFAOYSA-N
XLogP0.52
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 13950669
5,6-Dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
CID 126815495
(6S)-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 164634981
3-Pyrrolidin-1-yl-5,6-bis(trifluoromethyl)-1,2,4-triazine
CID 21605227
N,N,5,6-tetramethyl-1,2,4-triazin-3-amine
CID 286859
N,N-dimethyl-5,6-bis(trifluoromethyl)-1,2,4-triazin-3-amine
CID 21605226
3-Piperidin-1-yl-5,6-bis(trifluoromethyl)-1,2,4-triazine
CID 21605228
5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 104923911
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104925417
5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
CID 105362627
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362760

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine (CID 107494007) is N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine is Cc1nnc(N(CCN)CC(F)F)nc1C.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The InChIKey is YGUVKNNCCQSMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5/c1-6-7(2)14-15-9(13-6)16(4-3-12)5-8(10)11/h8H,3-5,12H2,1-2H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine has a molecular weight of 231.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).