N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

C13H20N6 — CID 66193219

IUPACN-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cc(Cn2cc(CNC3CC3)nn2)n(C)n1
InChIInChI=1S/C13H20N6/c1-3-10-6-13(18(2)16-10)9-19-8-12(15-17-19)7-14-11-4-5-11/h6,8,11,14H,3-5,7,9H2,1-2H3
InChIKeyCPRQGSDGSCXRJK-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.87
Rot. Bonds6

About N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66193219) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66193219
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cc(Cn2cc(CNC3CC3)nn2)n(C)n1
InChIInChI=1S/C13H20N6/c1-3-10-6-13(18(2)16-10)9-19-8-12(15-17-19)7-14-11-4-5-11/h6,8,11,14H,3-5,7,9H2,1-2H3
InChIKeyCPRQGSDGSCXRJK-UHFFFAOYSA-N
XLogP0.87
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192616
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
4-(1-bromopropyl)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazole
CID 113482888
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66193219) is N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is CCc1cc(Cn2cc(CNC3CC3)nn2)n(C)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CPRQGSDGSCXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-10-6-13(18(2)16-10)9-19-8-12(15-17-19)7-14-11-4-5-11/h6,8,11,14H,3-5,7,9H2,1-2H3.
What are the key properties of N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 260.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66193219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).