N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C14H20ClN5 — CID 114927307

IUPACN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)n(-c2cc(CNC(C)(C)C)c(Cl)cn2)n1
InChIInChI=1S/C14H20ClN5/c1-9-18-10(2)20(19-9)13-6-11(12(15)8-16-13)7-17-14(3,4)5/h6,8,17H,7H2,1-5H3
InChIKeyABRUDXWUYDONLZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.82
Rot. Bonds3

About N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114927307) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114927307
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)n(-c2cc(CNC(C)(C)C)c(Cl)cn2)n1
InChIInChI=1S/C14H20ClN5/c1-9-18-10(2)20(19-9)13-6-11(12(15)8-16-13)7-17-14(3,4)5/h6,8,17H,7H2,1-5H3
InChIKeyABRUDXWUYDONLZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854409
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925386
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926447
N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
CID 66233909
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927493
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114927307) is N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1nc(C)n(-c2cc(CNC(C)(C)C)c(Cl)cn2)n1.
What is the InChIKey of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ABRUDXWUYDONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-9-18-10(2)20(19-9)13-6-11(12(15)8-16-13)7-17-14(3,4)5/h6,8,17H,7H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114927307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).