N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine

C21H30N8 — CID 166241858

IUPACN-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2cn(C(CC3CCCCC3)c3ncccn3)nn2)n1
InChIInChI=1S/C21H30N8/c1-2-22-14-18-9-12-28(26-18)15-19-16-29(27-25-19)20(21-23-10-6-11-24-21)13-17-7-4-3-5-8-17/h6,9-12,16-17,20,22H,2-5,7-8,13-15H2,1H3
InChIKeySWGRHIGIWTWSFP-UHFFFAOYSA-N
MW394.53 g/mol
LogP2.98
Rot. Bonds9

About N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine

N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine (PubChem CID 166241858) has the molecular formula C21H30N8 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine
PubChem CID166241858
Molecular FormulaC21H30N8
Molecular Weight394.53 g/mol
Exact Mass394.26
IUPAC NameN-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2cn(C(CC3CCCCC3)c3ncccn3)nn2)n1
InChIInChI=1S/C21H30N8/c1-2-22-14-18-9-12-28(26-18)15-19-16-29(27-25-19)20(21-23-10-6-11-24-21)13-17-7-4-3-5-8-17/h6,9-12,16-17,20,22H,2-5,7-8,13-15H2,1H3
InChIKeySWGRHIGIWTWSFP-UHFFFAOYSA-N
XLogP2.98
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
CID 167986801
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 114192839
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
N-[[1-(2-methylidenebutyl)pyrazol-3-yl]methyl]ethanamine
CID 66040457
2-cyclopentyl-1-pyrimidin-2-ylethanol
CID 62608023
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 64799314
N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107054715
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine (CID 166241858) is N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine is CCNCc1ccn(Cc2cn(C(CC3CCCCC3)c3ncccn3)nn2)n1.
What is the InChIKey of N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine?
The InChIKey is SWGRHIGIWTWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8/c1-2-22-14-18-9-12-28(26-18)15-19-16-29(27-25-19)20(21-23-10-6-11-24-21)13-17-7-4-3-5-8-17/h6,9-12,16-17,20,22H,2-5,7-8,13-15H2,1H3.
What are the key properties of N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine?
N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine has a molecular weight of 394.53 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 166241858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).