N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine

C12H18N6 — CID 114251117

IUPACN-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)n1ccc(-n2cc(CNC3CC3)nn2)n1
InChIInChI=1S/C12H18N6/c1-9(2)17-6-5-12(15-17)18-8-11(14-16-18)7-13-10-3-4-10/h5-6,8-10,13H,3-4,7H2,1-2H3
InChIKeyIAFWIYIIQMTKGK-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.30
Rot. Bonds5

About N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 114251117) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID114251117
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)n1ccc(-n2cc(CNC3CC3)nn2)n1
InChIInChI=1S/C12H18N6/c1-9(2)17-6-5-12(15-17)18-8-11(14-16-18)7-13-10-3-4-10/h5-6,8-10,13H,3-4,7H2,1-2H3
InChIKeyIAFWIYIIQMTKGK-UHFFFAOYSA-N
XLogP1.30
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[[3-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
CID 114250955
N-[[1-(4-tert-butylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66207271
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621
N-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205641
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 64771424
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62492287
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205065
N-[[1-(4-bromo-3,5-dimethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107580475

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine (CID 114251117) is N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine is CC(C)n1ccc(-n2cc(CNC3CC3)nn2)n1.
What is the InChIKey of N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IAFWIYIIQMTKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9(2)17-6-5-12(15-17)18-8-11(14-16-18)7-13-10-3-4-10/h5-6,8-10,13H,3-4,7H2,1-2H3.
What are the key properties of N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 246.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114251117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).