N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C14H21N5 — CID 103398582

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cn(C(C)(C)C)nn1)c1ccncc1
InChIInChI=1S/C14H21N5/c1-11(12-5-7-15-8-6-12)16-9-13-10-19(18-17-13)14(2,3)4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyYCZMQCLLMJCLST-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.28
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 103398582) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID103398582
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cn(C(C)(C)C)nn1)c1ccncc1
InChIInChI=1S/C14H21N5/c1-11(12-5-7-15-8-6-12)16-9-13-10-19(18-17-13)14(2,3)4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyYCZMQCLLMJCLST-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103399284
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 103398918
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 103398596
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 103399204
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dimethoxy-2-methylphenyl)ethanamine
CID 126802415
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 103398582) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1cn(C(C)(C)C)nn1)c1ccncc1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is YCZMQCLLMJCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(12-5-7-15-8-6-12)16-9-13-10-19(18-17-13)14(2,3)4/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 103398582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).