N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C10H18F3N5 — CID 62426250

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCn1cc(CN)nn1)CC(F)(F)F
InChIInChI=1S/C10H18F3N5/c1-8(2)17(7-10(11,12)13)3-4-18-6-9(5-14)15-16-18/h6,8H,3-5,7,14H2,1-2H3
InChIKeyYKDNXYKAQKMRFA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 62426250) has the molecular formula C10H18F3N5 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID62426250
Molecular FormulaC10H18F3N5
Molecular Weight265.28 g/mol
Exact Mass265.15
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCn1cc(CN)nn1)CC(F)(F)F
InChIInChI=1S/C10H18F3N5/c1-8(2)17(7-10(11,12)13)3-4-18-6-9(5-14)15-16-18/h6,8H,3-5,7,14H2,1-2H3
InChIKeyYKDNXYKAQKMRFA-UHFFFAOYSA-N
XLogP1.01
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 62426250) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CCn1cc(CN)nn1)CC(F)(F)F.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is YKDNXYKAQKMRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N5/c1-8(2)17(7-10(11,12)13)3-4-18-6-9(5-14)15-16-18/h6,8H,3-5,7,14H2,1-2H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 62426250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).