N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine

C13H18ClN5O — CID 106597985

IUPACN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ncn(C)n2)c(Cl)c1
InChIInChI=1S/C13H18ClN5O/c1-9(2)5-15-6-10-4-11(14)12(16-7-10)20-13-17-8-19(3)18-13/h4,7-9,15H,5-6H2,1-3H3
InChIKeyGCJLNFLFENWTGT-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.40
Rot. Bonds6

About N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106597985) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106597985
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC NameN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ncn(C)n2)c(Cl)c1
InChIInChI=1S/C13H18ClN5O/c1-9(2)5-15-6-10-4-11(14)12(16-7-10)20-13-17-8-19(3)18-13/h4,7-9,15H,5-6H2,1-3H3
InChIKeyGCJLNFLFENWTGT-UHFFFAOYSA-N
XLogP2.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601599
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 106598278
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283539
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63063707

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106597985) is N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Oc2ncn(C)n2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GCJLNFLFENWTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-9(2)5-15-6-10-4-11(14)12(16-7-10)20-13-17-8-19(3)18-13/h4,7-9,15H,5-6H2,1-3H3.
What are the key properties of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.77 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).