1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine

C14H21N5O — CID 106229070

IUPAC1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cc(OC)cc(C)n2)nn1
InChIInChI=1S/C14H21N5O/c1-4-5-13(15)14-9-19(18-17-14)8-11-7-12(20-3)6-10(2)16-11/h6-7,9,13H,4-5,8,15H2,1-3H3
InChIKeyNYHYOFBNAHRZLV-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.84
Rot. Bonds6

About 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 106229070) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
PubChem CID106229070
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cc(OC)cc(C)n2)nn1
InChIInChI=1S/C14H21N5O/c1-4-5-13(15)14-9-19(18-17-14)8-11-7-12(20-3)6-10(2)16-11/h6-7,9,13H,4-5,8,15H2,1-3H3
InChIKeyNYHYOFBNAHRZLV-UHFFFAOYSA-N
XLogP1.84
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228693
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354
1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161127
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
CID 82895596
1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine
CID 138056443
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine (CID 106229070) is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2cc(OC)cc(C)n2)nn1.
What is the InChIKey of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is NYHYOFBNAHRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-5-13(15)14-9-19(18-17-14)8-11-7-12(20-3)6-10(2)16-11/h6-7,9,13H,4-5,8,15H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).