N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine

C16H19N5 — CID 66193959

IUPACN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2ccc3ccccc3n2)nn1
InChIInChI=1S/C16H19N5/c1-12(2)17-9-15-11-21(20-19-15)10-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyJPMNWWBLQYFYJU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.37
Rot. Bonds5

About N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66193959) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66193959
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2ccc3ccccc3n2)nn1
InChIInChI=1S/C16H19N5/c1-12(2)17-9-15-11-21(20-19-15)10-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyJPMNWWBLQYFYJU-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
2-[[4-[4-[1-(quinolin-2-ylmethyl)triazol-4-yl]butyl]triazol-1-yl]methyl]quinoline
CID 102300514
2-[[4-(1-chloroethyl)triazol-1-yl]methyl]quinoline
CID 81448345
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]quinoline
CID 62401191
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029
2-[1-(quinolin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461815
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
N-[[1-[(4-methylsulfanylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194730
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine (CID 66193959) is N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2ccc3ccccc3n2)nn1.
What is the InChIKey of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is JPMNWWBLQYFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(2)17-9-15-11-21(20-19-15)10-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66193959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).