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

C10H16F3N5 — CID 55073914

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)7-17(9-1-2-9)3-4-18-6-8(5-14)15-16-18/h6,9H,1-5,7,14H2
InChIKeyQBRMECQKBKXHFA-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.76
Rot. Bonds6

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

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55073914) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55073914
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)7-17(9-1-2-9)3-4-18-6-8(5-14)15-16-18/h6,9H,1-5,7,14H2
InChIKeyQBRMECQKBKXHFA-UHFFFAOYSA-N
XLogP0.76
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 121209119
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CID 126809339
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CID 68333475
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CID 80698065
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CID 81111092
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CID 87698164
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CID 124189261
CID 124189261

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55073914) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NCc1cn(CCN(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is QBRMECQKBKXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c11-10(12,13)7-17(9-1-2-9)3-4-18-6-8(5-14)15-16-18/h6,9H,1-5,7,14H2.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 263.27 g/mol, XLogP of 0.76, 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)cyclopropanamine is sourced from PubChem (CID 55073914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).