N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine

C15H19FN4 — CID 107456438

IUPACN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2cc(CNC3CC3)ccc2F)n1
InChIInChI=1S/C15H19FN4/c1-10-18-11(2)20(19-10)9-13-7-12(3-6-15(13)16)8-17-14-4-5-14/h3,6-7,14,17H,4-5,8-9H2,1-2H3
InChIKeyDKHQMOJJTXCQDX-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.33
Rot. Bonds5

About N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107456438) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID107456438
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2cc(CNC3CC3)ccc2F)n1
InChIInChI=1S/C15H19FN4/c1-10-18-11(2)20(19-10)9-13-7-12(3-6-15(13)16)8-17-14-4-5-14/h3,6-7,14,17H,4-5,8-9H2,1-2H3
InChIKeyDKHQMOJJTXCQDX-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62017814
N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55072882
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 106316895
N-[[4-fluoro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107455247
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
CID 105348487
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 107455188
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine (CID 107456438) is N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine is Cc1nc(C)n(Cc2cc(CNC3CC3)ccc2F)n1.
What is the InChIKey of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is DKHQMOJJTXCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10-18-11(2)20(19-10)9-13-7-12(3-6-15(13)16)8-17-14-4-5-14/h3,6-7,14,17H,4-5,8-9H2,1-2H3.
What are the key properties of N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 274.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).