2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C6H10F2N4 — CID 62119013

IUPAC2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CNCC(F)F
InChIInChI=1S/C6H10F2N4/c1-12-4-10-11-6(12)3-9-2-5(7)8/h4-5,9H,2-3H2,1H3
InChIKeyHSOLDUZKPDLWGK-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.17
Rot. Bonds4

About 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 62119013) has the molecular formula C6H10F2N4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID62119013
Molecular FormulaC6H10F2N4
Molecular Weight176.17 g/mol
Exact Mass176.09
IUPAC Name2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CNCC(F)F
InChIInChI=1S/C6H10F2N4/c1-12-4-10-11-6(12)3-9-2-5(7)8/h4-5,9H,2-3H2,1H3
InChIKeyHSOLDUZKPDLWGK-UHFFFAOYSA-N
XLogP0.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 17998718
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62587166
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-ium
CID 26985278
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 62119013) is 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cn1cnnc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is HSOLDUZKPDLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4/c1-12-4-10-11-6(12)3-9-2-5(7)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 176.17 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62119013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).