N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine

C13H21ClN6 — CID 66194343

IUPACN-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(Cn2cc(CNC(C)C)nn2)c1Cl
InChIInChI=1S/C13H21ClN6/c1-5-11-13(14)12(19(4)17-11)8-20-7-10(16-18-20)6-15-9(2)3/h7,9,15H,5-6,8H2,1-4H3
InChIKeyMNYSWSMRYDLYKK-UHFFFAOYSA-N
MW296.81 g/mol
LogP1.77
Rot. Bonds6

About N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66194343) has the molecular formula C13H21ClN6 and a molecular weight of 296.81 g/mol. Its IUPAC name is N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66194343
Molecular FormulaC13H21ClN6
Molecular Weight296.81 g/mol
Exact Mass296.15
IUPAC NameN-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(Cn2cc(CNC(C)C)nn2)c1Cl
InChIInChI=1S/C13H21ClN6/c1-5-11-13(14)12(19(4)17-11)8-20-7-10(16-18-20)6-15-9(2)3/h7,9,15H,5-6,8H2,1-4H3
InChIKeyMNYSWSMRYDLYKK-UHFFFAOYSA-N
XLogP1.77
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194590
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192616
N-[[1-[(4-methylsulfanylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194730
N-[[1-[(2-chloro-4-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 106870740
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 107889086
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101344
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
4-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539356

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine (CID 66194343) is N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine is CCc1nn(C)c(Cn2cc(CNC(C)C)nn2)c1Cl.
What is the InChIKey of N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is MNYSWSMRYDLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6/c1-5-11-13(14)12(19(4)17-11)8-20-7-10(16-18-20)6-15-9(2)3/h7,9,15H,5-6,8H2,1-4H3.
What are the key properties of N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 296.81 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66194343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).