5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

C8H14F3N5 — CID 83897507

IUPAC5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(CN)n1CC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-5(2)13-7-15-14-6(3-12)16(7)4-8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,15)
InChIKeySCGBUMWKOVXQDN-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.12
Rot. Bonds4

About 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (PubChem CID 83897507) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
PubChem CID83897507
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(CN)n1CC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-5(2)13-7-15-14-6(3-12)16(7)4-8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,15)
InChIKeySCGBUMWKOVXQDN-UHFFFAOYSA-N
XLogP1.12
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (CID 83897507) is 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is CC(C)Nc1nnc(CN)n1CC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The InChIKey is SCGBUMWKOVXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-5(2)13-7-15-14-6(3-12)16(7)4-8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine has a molecular weight of 237.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 83897507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).