6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide

C10H13F2N5O — CID 172615445

IUPAC6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide
SMILESNc1nncnc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N5O/c11-10(12)3-1-6(2-4-10)16-9(18)7-8(13)17-15-5-14-7/h5-6H,1-4H2,(H2,13,17)(H,16,18)
InChIKeyOZRMNZBBPHHXRV-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.76
Rot. Bonds2

About 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide

6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide (PubChem CID 172615445) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide
PubChem CID172615445
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC Name6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide
SMILESNc1nncnc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N5O/c11-10(12)3-1-6(2-4-10)16-9(18)7-8(13)17-15-5-14-7/h5-6H,1-4H2,(H2,13,17)(H,16,18)
InChIKeyOZRMNZBBPHHXRV-UHFFFAOYSA-N
XLogP0.76
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
CID 154645867
3-amino-N-(4-aminocyclohexyl)pyrazine-2-carboxamide;dihydrochloride
CID 119474422
5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
CID 71099574
[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
CID 118437504
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
CID 118437477
6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
CID 166390917
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
3-amino-N-(1-ethylpiperidin-4-yl)pyrazine-2-carboxamide
CID 30768284
cis-(1R,3S)-3-[(3-aminopyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678525
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide?
The IUPAC name of 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide (CID 172615445) is 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide.
What is the SMILES notation for 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide?
The canonical SMILES for 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide is Nc1nncnc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide?
The InChIKey is OZRMNZBBPHHXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c11-10(12)3-1-6(2-4-10)16-9(18)7-8(13)17-15-5-14-7/h5-6H,1-4H2,(H2,13,17)(H,16,18).
What are the key properties of 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide?
6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide has a molecular weight of 257.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide is sourced from PubChem (CID 172615445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).