N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C15H15N5 — CID 105074683

IUPACN-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)nnn2-c1cnccc1CNC1CC1
InChIInChI=1S/C15H15N5/c1-2-4-14-13(3-1)18-19-20(14)15-10-16-8-7-11(15)9-17-12-5-6-12/h1-4,7-8,10,12,17H,5-6,9H2
InChIKeyRDOSTIZLRPZXTF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.07
Rot. Bonds4

About N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105074683) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105074683
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)nnn2-c1cnccc1CNC1CC1
InChIInChI=1S/C15H15N5/c1-2-4-14-13(3-1)18-19-20(14)15-10-16-8-7-11(15)9-17-12-5-6-12/h1-4,7-8,10,12,17H,5-6,9H2
InChIKeyRDOSTIZLRPZXTF-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(chloromethyl)-3-pyridinyl]benzotriazole
CID 105067552
N-[[4-(benzotriazol-1-yl)-3-chlorophenyl]methyl]cyclopropanamine
CID 81144575
N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185756
3-(benzotriazol-1-yl)pyridine-4-carboxylic acid
CID 113269774
N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
CID 62141701
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073298
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105074683) is N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is c1ccc2c(c1)nnn2-c1cnccc1CNC1CC1.
What is the InChIKey of N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RDOSTIZLRPZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-4-14-13(3-1)18-19-20(14)15-10-16-8-7-11(15)9-17-12-5-6-12/h1-4,7-8,10,12,17H,5-6,9H2.
What are the key properties of N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105074683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).