1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C15H23N5 — CID 103399323

IUPAC1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H23N5/c1-5-12-7-6-8-17-14(12)10-16-9-13-11-20(19-18-13)15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyGKTNDGNIGNTMIJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds5

About 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 103399323) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID103399323
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H23N5/c1-5-12-7-6-8-17-14(12)10-16-9-13-11-20(19-18-13)15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyGKTNDGNIGNTMIJ-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 103399323) is 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is GKTNDGNIGNTMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-12-7-6-8-17-14(12)10-16-9-13-11-20(19-18-13)15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 103399323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).