N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine

C9H15F3N4 — CID 11333814

IUPACN,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCCCNc1nc(C(F)(F)F)n(CCC)n1
InChIInChI=1S/C9H15F3N4/c1-3-5-13-8-14-7(9(10,11)12)16(15-8)6-4-2/h3-6H2,1-2H3,(H,13,15)
InChIKeyRMJFLQMBUAQHOV-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.53
Rot. Bonds5

About N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine

N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 11333814) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID11333814
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC NameN,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCCCNc1nc(C(F)(F)F)n(CCC)n1
InChIInChI=1S/C9H15F3N4/c1-3-5-13-8-14-7(9(10,11)12)16(15-8)6-4-2/h3-6H2,1-2H3,(H,13,15)
InChIKeyRMJFLQMBUAQHOV-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Heptafluoropropyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine
CID 11185092
3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine
CID 28064826
((1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl)methyl)(methyl)amine
CID 65649099
N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 11206128
1-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-N-propyl-1,2,4-triazol-3-amine
CID 11364193
N-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1-propyl-1,2,4-triazol-3-amine
CID 11443568
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine
CID 12774391
[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 66759898
5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 68355362
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 68393362
3-[amino-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]-N-methylpropan-1-amine
CID 90078469

Frequently Asked Questions

What is the IUPAC name of N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 11333814) is N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is CCCNc1nc(C(F)(F)F)n(CCC)n1.
What is the InChIKey of N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is RMJFLQMBUAQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-3-5-13-8-14-7(9(10,11)12)16(15-8)6-4-2/h3-6H2,1-2H3,(H,13,15).
What are the key properties of N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 236.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 11333814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).