1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C6H10F3N5 — CID 107065514

IUPAC1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C6H10F3N5/c1-10-4(6(7,8)9)3-5-11-13-14(2)12-5/h4,10H,3H2,1-2H3
InChIKeyUMAVUBJUBRLQKA-UHFFFAOYSA-N
MW209.17 g/mol
LogP-0.10
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107065514) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107065514
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C6H10F3N5/c1-10-4(6(7,8)9)3-5-11-13-14(2)12-5/h4,10H,3H2,1-2H3
InChIKeyUMAVUBJUBRLQKA-UHFFFAOYSA-N
XLogP-0.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107065514) is 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1nnn(C)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is UMAVUBJUBRLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-10-4(6(7,8)9)3-5-11-13-14(2)12-5/h4,10H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 209.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107065514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).